2-Methyl-1-propanol supplier

Name
2-Methyl-1-propanol
EINECS 201-148-0
CAS No. 78-83-1
Article Data362
CAS DataBase
Density 0.802 g/cm³
Solubility 95 g/L (20 °C) in water
Melting Point -108 °C
Formula C₄H₁₀O
Boiling Point 105.039 °C at 760 mmHg
Molecular Weight 74.1228
Flash Point 27.778 °C
Transport Information UN 1212 3/PG 3
Appearance colorless liquid
Safety 13-26-37/39-46-7/9
Risk Codes 10-37/38-41-67
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Methylpropyl alcohol;1-propanol, 2-methyl-;Isobutylalkohol [Czech];Alcool isobutylique [French];Alcool isobutylique;Isopropylcarbinol;Aluminium 2-methylpropanolate;1-Propanol,2-methyl-;2-Methylpropanol-1;2-Methyl propanol;Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid];2-Methylpropan-1-ol;Isobutyl alcohol (natural);Iso-butyl alcohol;FEMA No. 2179;1-Hydroxymethylpropane;4-01-00-01588 (Beilstein Handbook Reference);Isobutylalkohol;Natural Isobutyl Alcohol;iso-Butyl Alcohol, Reagent;Isobutyl Alcohol;Isobutanol;
PSA 20.23000
LogP 0.63470

Synthetic route

: 558-30-5
2-methyl-1,2-epoxypropane

A: 78-83-1
2-methyl-propan-1-ol

B: 78-84-2
isobutyraldehyde

Conditions

Conditions	Yield
With hydrogen; chromium(III) oxide; copper at 140℃; under 26252.1 Torr; for 0.666667h;	A 98.1% B 1.9%

: 18269-50-6
isobutoxytrimethylsilane

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry;	97%

: 75-65-0
tert-butyl alcohol

A: 78-83-1
2-methyl-propan-1-ol

B: 7732-18-5
water

C: 115-11-7
isobutene

Conditions

Conditions	Yield
aluminum oxide at 315.546℃; under 11103.3 Torr;	A 1.4% B 1.1% C 96.4%

...Expand

: 71412-40-3
N,N'-(4-methyl-m-phenylene)-bis-carbamic acid diisobutyl ester

A: 78-83-1
2-methyl-propan-1-ol

B: 584-84-9
2,4-Toluene diisocyanate

Conditions

Conditions	Yield
In 1,2,4-Trichlorobenzene at 120 - 350℃; under 7500.75 Torr; Product distribution / selectivity; Industry scale;	A n/a B 92.9%

: 97-72-3
2-Methylpropionic anhydride

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With [Zn(BH4)2(py)] In tetrahydrofuran for 2.5h; Heating;	92%

: 78-84-2
isobutyraldehyde

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate; Dowex1-x8 In tetrahydrofuran at 20℃; for 0.3h;	90%
gadolinium(III) isopropoxide In isopropyl alcohol at 30℃; for 2h;	74%
With PEG-bound sodium benzoyloxyborohydride In toluene at 21 - 23℃; for 2h;	66%

: 187737-37-7
propene

: 201230-82-2
carbon monoxide

A: 78-83-1
2-methyl-propan-1-ol

B: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
Stage #1: propene; carbon monoxide With hydrogen; triphenylphosphine; acetylacetonatodicarbonyl triphenylphosphine Rhodium (ROPAC) at 89℃; for 240h; Inert atmosphere; Stage #2: With hydrogen; Raney-nickel at 110℃; under 18751.9 Torr; for 90h; Product distribution / selectivity; Inert atmosphere;	A 8.6% B 87.1%
Stage #1: propene; carbon monoxide With carbonyl-2,4-pentanedionato(triphenylphosphine)rhodium(I); hydrogen; triphenylphosphine at 89℃; under 11251.1 - 13501.4 Torr; for 240h; Industrial scale; Stage #2: With hydrogen at 110℃; under 18751.9 Torr; for 90h; Industrial scale;	A 8.6% B 87.1%
Stage #1: propene; carbon monoxide With (acetylacetonato)dicarbonylrhodium (l); tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine In toluene at 19.84 - 49.84℃; under 23289.8 Torr; for 4h; Autoclave; Stage #2: With hydrogen In toluene at 49.84 - 99.84℃; under 25877.6 Torr; for 4h; Autoclave;

...Expand

: 73198-21-7
Isobutylmethyl(p-nitrophenyl)sulfonium perchlorate

A: 67-56-1
methanol

B: 78-83-1
2-methyl-propan-1-ol

C: 701-57-5
1-methylthio-4-nitro-benzene

D: Isobutyl p-nitrophenyl sulfide

Conditions

Conditions	Yield
With water Mechanism; Product distribution;	A n/a B n/a C 15% D 85%

...Expand

: 79-31-2
isobutyric Acid

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 6h;	80%
With diphenylamine borane In dichloromethane 1.) 0 deg C, 1 h, 2.) 20 deg C, 1 h;	72%
With hydrogen In n-heptane at 123℃; under 41372.9 Torr; for 4h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Time; Pressure; Autoclave;
With hydrogen In hexane at 130℃; under 15001.5 Torr; for 18h; Molecular sieve; chemoselective reaction;	83 %Chromat.
With methanol; CuO on mesoporous silica at 360℃; Reagent/catalyst;

: 84110-40-7
Dihydroxy-isobutyl-boran

: acetonitrile complex of hypofluorous acid

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
In dichloromethane at 20℃;	80%

: 1679-47-6
3-methyltetrahydro-2-furanone

A: 2938-98-9
2-methyl-1,4-butandiol

B: 78-83-1
2-methyl-propan-1-ol

C: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With 5 wt% ruthenium/carbon; hydrogen In water at 100℃; under 105011 Torr; for 6.3h; Reagent/catalyst; Temperature;	A 80% B n/a C n/a

...Expand

: 6283-77-8
2-methylpropane-1,1-diyl diacetate

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel(II) chloride hexahydrate In methanol at 20℃; for 3.5h; chemoselective reaction;	80%

: 558-30-5
2-methyl-1,2-epoxypropane

A: 78-83-1
2-methyl-propan-1-ol

B: 115-11-7
isobutene

C: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With hydrogen; chromium(III) oxide; nickel at 90℃; under 26252.1 Torr; for 0.666667h; 100 - 170 degC, Al Ni Ti as a catalyst;	A 75.4% B 0.62% C 24.3%

...Expand

: 20266-12-0
1-butoxy-1-isobutoxy butane

A: 78-83-1
2-methyl-propan-1-ol

B: 109-21-7
butyl butyrate

C: 539-90-2
isobutyl n-butyrate

D: 79-31-2
isobutyric Acid

E: 107-92-6
butyric acid

F: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With oxygen; cobalt(II) acetate at 90℃; under 750.06 Torr; Mechanism; Rate constant; other oxygen pressure;	A 5.5% B 3% C 3.5% D 5% E 73.5% F 7%

...Expand

: 67-56-1
methanol

: 64-17-5
ethanol

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With trans-RuCl2(dppm)2; sodium hydroxide at 180℃; for 2h; Catalytic behavior; Reagent/catalyst; Time; Guerbet Reaction; Autoclave; Inert atmosphere; Sealed tube;	71%
With Mn(CO)((C6H5)2PCH2P(C6H5)2)2Br; sodium methylate at 180℃; for 90h; Catalytic behavior; Reagent/catalyst; Guerbet Reaction;	14.4%
With chloro(hexamethylbenzene)(1-hydroxy-2-diphenylphosphino-3-methylphosphacyclohexa-3,5-diene) ruthenium(II) hexafluorophosphate; sodium methylate at 180℃; for 2h; Glovebox; Autoclave; Inert atmosphere;	11.1%

: 201230-82-2
carbon monoxide

A: 67-56-1
methanol

B: 71-23-8
propan-1-ol

C: 64-17-5
ethanol

D: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With hydrogen at 400℃; under 75007.5 Torr; Catalytic behavior; Reagent/catalyst;	A 65.2% B 1% C 3.6% D 27%
With hydrogen at 370℃; under 76005.1 Torr;

...Expand

: 187737-37-7
propene

A: 74-98-6
propane

B: 78-83-1
2-methyl-propan-1-ol

C: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With carbon monoxide; hydrogen; decacarbonylditechnetium; bithionol In hexane at 235℃; under 150012 Torr; for 6h; Product distribution; also Tc2(CO)10-catalyst;	A 62% B 3% C 35%

...Expand

: 124-38-9
carbon dioxide

: 201230-82-2
carbon monoxide

A: 67-56-1
methanol

B: 71-23-8
propan-1-ol

C: 57-55-6
propylene glycol

D: 626-95-9
1,4-Pentanediol

E: 111-29-5
1 ,5-pentanediol

F: 110-63-4
Butane-1,4-diol

G: 60-29-7
diethyl ether

H: 34557-54-5
methane

I: 64-17-5
ethanol

J: 6032-29-7
(+/-)-2-pentanol

K: 18826-95-4, 107-88-0
1.3-butanediol

L: 5343-92-0
1,2-pentanediol

M: 74-84-0
ethane

N: 74-98-6
propane

O: 115-10-6
Dimethyl ether

P: 540-67-0
ethyl methyl ether

Q: 78-83-1
2-methyl-propan-1-ol

R: 584-02-1
2-pentanol

S: 71-41-0
pentan-1-ol

T: 3174-67-2
1,3-pentanediol

U: 79-20-9
acetic acid methyl ester

V: 67-63-0
isopropyl alcohol

W: 78-92-2, 15892-23-6
iso-butanol

X: 75-65-0
tert-butyl alcohol

Y: 71-36-3
butan-1-ol

Z: 584-03-2
1,2-dihydroxybutane

Conditions

Conditions	Yield
With hydrogen; Cu/Co/Al at 260 - 320℃; under 45004.5 - 75007.5 Torr; Conversion of starting material;	A 57.5% B n/a C n/a D n/a E n/a F n/a G n/a H n/a I 28.5% J n/a K n/a L n/a M n/a N n/a O n/a P n/a Q n/a R n/a S n/a T n/a U n/a V n/a W n/a X n/a Y n/a Z n/a
With hydrogen; Cu/ZnO/Al2O3 at 285 - 300℃; under 45004.5 - 67506.8 Torr; Conversion of starting material;	A 57.5% B n/a C n/a D n/a E n/a F n/a G n/a H n/a I 28.5% J n/a K n/a L n/a M n/a N n/a O n/a P n/a Q n/a R n/a S n/a T n/a U n/a V n/a W n/a X n/a Y n/a Z n/a

...Expand

: 124-38-9
carbon dioxide

: 201230-82-2
carbon monoxide

A: 67-56-1
methanol

B: 71-23-8
propan-1-ol

C: 57-55-6
propylene glycol

D: 626-95-9
1,4-Pentanediol

E: 111-29-5
1 ,5-pentanediol

F: 110-63-4
Butane-1,4-diol

G: 60-29-7
diethyl ether

H: 64-17-5
ethanol

I: 6032-29-7
(+/-)-2-pentanol

J: 18826-95-4, 107-88-0
1.3-butanediol

K: 5343-92-0
1,2-pentanediol

L: 115-10-6
Dimethyl ether

M: 540-67-0
ethyl methyl ether

N: 78-83-1
2-methyl-propan-1-ol

O: 584-02-1
2-pentanol

P: 71-41-0
pentan-1-ol

Q: 3174-67-2
1,3-pentanediol

R: 79-20-9
acetic acid methyl ester

S: 67-63-0
isopropyl alcohol

T: 78-92-2, 15892-23-6
iso-butanol

U: 75-65-0
tert-butyl alcohol

V: 71-36-3
butan-1-ol

W: 584-03-2
1,2-dihydroxybutane

Conditions

Conditions	Yield
With hydrogen; Zn/Cr/K at 350 - 420℃; under 75007.5 - 135014 Torr; Conversion of starting material;	A 57.5% B n/a C n/a D n/a E n/a F n/a G n/a H 28.5% I n/a J n/a K n/a L n/a M n/a N n/a O n/a P n/a Q n/a R n/a S n/a T n/a U n/a V n/a W n/a

...Expand

: lithium 2-lithioethoxide

: 78-84-2
isobutyraldehyde

A: 78-83-1
2-methyl-propan-1-ol

B: 54876-99-2
4-methylpentane-1,3-diol

Conditions

Conditions	Yield
In tetrahydrofuran at -95℃;	A n/a B 55%

...Expand

: 492-62-6
alpha-D-glucopyranose

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With glucose dehydrogenase; 2-keto acid decarboxylase; 2-keto-3-desoxygluconate aldolase; acetolactate synthase; dihydroxy acid dehydratase; ketol acid reductoisomerase; NAD; thiamine diphosphate; magnesium chloride; alcohol dehydrogenase In aq. buffer at 50℃; for 23h; pH=7; Enzymatic reaction;	53%

: 513-42-8
3-hydroxy-2-methyl-1-propene

A: 78-83-1
2-methyl-propan-1-ol

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
Stage #1: 3-hydroxy-2-methyl-1-propene With Pd/SiO2; [Rh(trop2NH)(PPh3)]OTf; water; sodium hydroxide at 20℃; for 12h; Inert atmosphere; Stage #2: With hydrogenchloride In water Inert atmosphere;	A 40% B 50%

: 78-85-3
2-methylpropenal

: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With aluminum tri-n-butoxide at 60℃; for 5h; Time; Meerwein-Ponndorf-Verley Reduction;	44.54%

: 20266-11-9
1-(1-Isobutoxy-2-methyl-propoxy)-butane

A: 97-85-8
isobutyl isobutanoate

B: 78-83-1
2-methyl-propan-1-ol

C: 97-87-0
n-butyl isobutyrate

D: 79-31-2
isobutyric Acid

E: 107-92-6
butyric acid

F: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With oxygen; cobalt(II) acetate at 90℃; under 750.06 Torr; Mechanism; Rate constant; other oxygen pressure;	A 6% B 12% C 6% D 26% E 33% F 14%

...Expand

: 187737-37-7
propene

: 201230-82-2
carbon monoxide

A: 78-83-1
2-methyl-propan-1-ol

B: 123-72-8
butyraldehyde

C: 78-84-2
isobutyraldehyde

D: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With (acetylacetonato)dicarbonylrhodium (l); hydrogen; triethylphosphine In ethanol at 140℃; under 37503.8 Torr; Pressure; Inert atmosphere; Autoclave;	A n/a B n/a C 30.8% D 11%
With dicobalt octacarbonyl; water; 1,2-bis-(diphenylphosphino)ethane In 1,4-dioxane Product distribution; var. CO pressure, var. temperatures, var. propene concentration, var. times;
With hydrogen; heteronuclear Pd-Co complex on silica at 100℃; under 2280 Torr; for 1h; Product distribution; var. of catalyst, temp.;

...Expand

: 67-56-1
methanol

: 64-17-5
ethanol

A: 71-23-8
propan-1-ol

B: 78-83-1
2-methyl-propan-1-ol

Conditions

Conditions	Yield
With trans, cis-[RuCl2(1-amino-2-diphenylphosphinoethane-N,P)2]; sodium hydroxide at 180℃; for 2h; Catalytic behavior; Reagent/catalyst; Guerbet Reaction; Autoclave; Sealed tube; Inert atmosphere;	A 8.6% B 28%
With (bis[(2-diisopropylphosphino)ethyl]amine)Mn(CO)2Br; sodium methylate at 180℃; for 24h; Catalytic behavior; Reagent/catalyst;	A 10.5% B 27%
With Ru(Ph2PCH2CH2NMe2)2Cl2; sodium methylate at 180℃; for 20h; Catalytic behavior; Reagent/catalyst; Autoclave; Inert atmosphere;
With C42H48Cl2P4RuSi2; sodium methylate at 180℃; for 2h; Temperature; Inert atmosphere; Schlenk technique; Autoclave;	A 5.3 %Chromat. B 38.1 %Chromat.

...Expand

: 201230-82-2
carbon monoxide

: 67-63-0
isopropyl alcohol

A: 123-51-3
i-Amyl alcohol

B: 78-83-1
2-methyl-propan-1-ol

C: 108-20-3
di-isopropyl ether

D: 78448-33-6
1-isopropoxy-2-methyl-propane

Conditions

Conditions	Yield
With hydrogen; Cobalt rhodium; iodine at 200℃; under 315025 Torr; for 2h; Product distribution; other promoter, other pressure;	A n/a B 22% C 12% D 9%

...Expand

: 13262-24-3
2-methyl-1,1-bis(2-methylpropoxy)propane

A: 97-85-8
isobutyl isobutanoate

B: 78-83-1
2-methyl-propan-1-ol

C: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With oxygen; cobalt(II) acetate at 90℃; under 750.06 Torr; Mechanism; Rate constant; other oxygen pressure;	A 5% B 11% C 15%

...Expand

: 13002-16-9
n-butyraldehyde diisobutyl acetal

A: 78-83-1
2-methyl-propan-1-ol

B: 539-90-2
isobutyl n-butyrate

Conditions

Conditions	Yield
With oxygen; cobalt(II) acetate at 90℃; under 750.06 Torr; Mechanism; Rate constant; other oxygen pressure;	A 14% B 8%

: 765-69-5
2-Methylcyclopentane-1,3-dione

: 78-83-1
2-methyl-propan-1-ol

: 22117-97-1
3-isobutoxy-2-methyl-2-cyclopenten-1-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 16h; Heating;	100%
With toluene-4-sulfonic acid	100%
With toluene-4-sulfonic acid In benzene for 8h; Heating;	99%

: 78-83-1
2-methyl-propan-1-ol

: 327-92-4
1,5-difluoro-2,4-dinitrobenzene

: 100876-90-2
1,5-diisobutoxy-2,4-dinitrobenzene

Conditions

Conditions	Yield
In triethylamine at 20℃; for 12h; Inert atmosphere;	100%
With triethylamine In chloroform for 5h;	91.6%
With potassium fluoride
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 120h;

: 78-83-1
2-methyl-propan-1-ol

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; trichloroisocyanuric acid; sodium hydrogencarbonate; sodium bromide In water; acetone at 20℃; for 3h;	100%
With tert.-butylhydroperoxide; copper(ll) bromide In water; dimethyl sulfoxide at 20℃; for 1.2h; Inert atmosphere;	88%
With aluminium trichloride; silver bromate In acetonitrile for 0.65h; Heating;	83%

: 78-83-1
2-methyl-propan-1-ol

: 98-59-9
p-toluenesulfonyl chloride

: 4873-56-7
isobutyl p-toluenesulfonate

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium hydroxide In water; toluene at 40 - 50℃; for 1h;	100%
With dmap; triethylamine In dichloromethane at 0 - 25℃; Inert atmosphere;	86%
With pyridine In chloroform at 0 - 25℃; for 12h; Inert atmosphere;	81%

: 78-83-1
2-methyl-propan-1-ol

: 122706-30-3
6-methyl-6,7-dihydro-7-hydroxy-5H-pyrrolo<3,4-b>pyridin-5-one

: 135128-35-7
7-Isobutoxy-6-methyl-6,7-dihydro-pyrrolo[3,4-b]pyridin-5-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 108℃; for 3h;	100%

: 78-83-1
2-methyl-propan-1-ol

: sodium-O,O-(CH2CH(CH3)2)2-dithiophosphate

Conditions

Conditions	Yield
With diphosphorus pentasulfide In tetrahydrofuran for 2h; Ambient temperature;	100%

: 72-18-4
L-valine

: 78-83-1
2-methyl-propan-1-ol

: 104-15-4
toluene-4-sulfonic acid

: 13018-45-6
(S)-1-isobutoxy-3-methyl-1-oxobutan-2-aminium 4-methylbenzenesulfonate

Conditions

Conditions	Yield
In water; toluene for 24h; Reflux; Dean-Stark;	100%
In benzene Heating;	84%
In benzene Heating;

...Expand

: 78-83-1
2-methyl-propan-1-ol

: 4753-07-5, 5160-10-1, 14206-57-6, 14227-66-8, 14257-35-3, 42385-75-1, 67650-37-7, 68682-05-3, 69308-57-2, 69349-74-2, 70223-96-0, 70223-97-1, 71276-38-5, 85248-99-3, 118493-15-5, 120575-76-0
2,3,6,2',3',4',6'-hepta-O-acetyl-α-D-maltosyl bromide

: 3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranose 1,2-(i-butyl orthoacetate)

Conditions

Conditions	Yield
With 2,4,6-trimethyl-pyridine; 4 A molecular sieve; mercury dibromide In nitromethane; chloroform; benzene for 22h; Ambient temperature;	100%

: 78-83-1
2-methyl-propan-1-ol

: 4753-07-5
2,3,6,2',3',4',6'-hepta-O-acetyl-lactosyl bromide

: 3,6-di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-glucopyranose 1,2-(i-butyl orthoacetate)

Conditions

Conditions	Yield
With 2,4,6-trimethyl-pyridine; 4 A molecular sieve; mercury dibromide In nitromethane; chloroform; benzene for 22h; Ambient temperature;	100%

: 78-83-1
2-methyl-propan-1-ol

: 6645-46-1
L-carnitine chloride

: R-carnitine isobutyl ester

Conditions

Conditions	Yield
With hydrogenchloride for 3h; Heating;	100%

: 78-83-1
2-methyl-propan-1-ol

: 126-81-8
dimedone

: 5,5-dimethyl-3-(2-methylpropoxy)cyclohex-2-en-1-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	100%

: 328-50-7
α-ketoglutaric acid

: 78-83-1
2-methyl-propan-1-ol

: 105553-43-3
di-i-butyl 2-oxoglutarate

Conditions

Conditions	Yield
With Novozym 435 lipase B from Candida antarctica at 30℃;	100%

: 916913-52-5
N-(3-[tert-butyl(dimethyl)silyl]oxy-2-naphthyl)-5-methylfuran-2-sulfonamide

: 78-83-1
2-methyl-propan-1-ol

: 916913-53-6
N-(3-[tert-butyl(dimethyl)silyl]oxy-2-naphthyl)-N-isobutyl-5-methylfuran-2-sulfonamide

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 20℃; Mitsunobu reaction;	100%

: 909896-93-1
methyl 4-{[2-[(pyridin-3-ylsulfonyl)amino]-5-(trifluoromethyl)phenoxy]methyl}benzoate

: 78-83-1
2-methyl-propan-1-ol

: 909897-17-2
methyl 4-{[2-[isobutyl(pyridin-3-ylsulfonyl)amino]-5-(trifluoromethyl)phenoxy]methyl}benzoate

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; for 1h;	100%

: 909897-11-6
methyl 4-{[2-[(1H-imidazol-2-ylsulfonyl)amino]-5-(trifluoromethyl)phenoxy]methyl}benzoate

: 78-83-1
2-methyl-propan-1-ol

: 909897-26-3
methyl 4-{[2-{isobutyl[(1H-imidazol-2-yl)sulfonyl]amino}-5-(trifluoromethyl)phenoxy]methyl}benzoate

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃;	100%

: 909897-09-2
methyl 4-{[2-{[(1-methyl-1H-pyrrol-3-yl)sulfonyl]amino}-5-(trifluoromethyl)phenoxy]methyl}benzoate

: 78-83-1
2-methyl-propan-1-ol

: 909897-25-2
methyl 4-{[2-{isobutyl[(1-methyl-1H-pyrrol-3-yl)sulfonyl]amino}-5-(trifluoromethyl)phenoxy]methyl}benzoate

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃;	100%

: 909896-95-3
methyl 4-{[2-{[(1-methyl-1H-pyrrol-2-yl)sulfonyl]amino}-5-(trifluoromethyl)phenoxy]methyl}benzoate

: 78-83-1
2-methyl-propan-1-ol

: 909897-18-3
methyl 4-{[2-{isobutyl[(1-methyl-1H-pyrrol-2-yl)sulfonyl]amino}-5-(trifluoromethyl)phenoxy]methyl}benzoate

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃;	100%

: 909897-07-0
methyl 4-{[2-[(1H-pyrrol-3-ylsulfonyl)amino]-5-(trifluoromethyl)phenoxy]methyl}benzoate

: 78-83-1
2-methyl-propan-1-ol

: 909897-24-1
methyl 4-{[2-{isobutyl[(1H-pyrrol-3-yl)sulfonyl]amino}-5-(trifluoromethyl)phenoxy]methyl}benzoate

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃;	100%

: 78-83-1
2-methyl-propan-1-ol

: 10175-01-6
bis(2-methoxycarbonylethyl)tin dichloride

: 66896-27-3
di(2-iso-butoxycarbonylethyl)tin dichloride

Conditions

Conditions	Yield
In further solvent(s) addn. of Sn compd. to iso-butanol, reflux, acid or base catalysis;	100%

: 78-83-1
2-methyl-propan-1-ol

: 72063-81-1
2,4-diisobutylamino-6-chloro-pyrimidine

: 1067679-81-5
4-isobutoxy-2,6-diisobutylamino-pyrimidine

Conditions

Conditions	Yield
Stage #1: 2-methyl-propan-1-ol With sodium hydride In mineral oil at 20℃; Inert atmosphere; Stage #2: 2,4-diisobutylamino-6-chloro-pyrimidine In mineral oil at 125℃; for 72h; Inert atmosphere;	100%

: 78-83-1
2-methyl-propan-1-ol

: 100-06-1
1-(4-methoxyphenyl)ethanone

: 1187923-23-4
1-methoxy-4-[1-(2-methylpropan-1-yloxy)ethyl]benzene

Conditions

Conditions	Yield
Stage #1: 2-methyl-propan-1-ol; 1-(4-methoxyphenyl)ethanone With sodium tetrahydroborate at 20℃; Stage #2: With hydrogenchloride In water at 60℃; for 5h;	100%
With hydrogen In n-heptane at 80℃; under 760.051 Torr; for 2.5h;

: 78-83-1
2-methyl-propan-1-ol

: 3282-30-2
pivaloyl chloride

: 5129-38-4
isobutyl pivalate

Conditions

Conditions	Yield
at 20℃; for 0.0833333h; Neat (no solvent);	100%

: 78-83-1
2-methyl-propan-1-ol

: 1633-82-5
3-chloro-n-propanesulfonyl chloride

: C7H15ClO3S

Conditions

Conditions	Yield
With triethylamine In toluene at 3 - 8℃; for 4h; Inert atmosphere;	100%

: 78-83-1
2-methyl-propan-1-ol

: 35213-00-4
2,6-dinitrobenzonitrile

: 1093204-61-5
2-isobutoxy-6-nitrobenzonitrile

Conditions

Conditions	Yield
Stage #1: 2-methyl-propan-1-ol With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 0.5h; Inert atmosphere; Stage #2: 2,6-dinitrobenzonitrile In tetrahydrofuran; mineral oil at -70 - 20℃; Inert atmosphere;	100%

: 3095-95-2
diethylphosphonoacetic acid

: 78-83-1
2-methyl-propan-1-ol

: 75412-64-5
diethyl <(iso-butoxycarbonyl)methyl>phosphonate

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethyl acetate; toluene at 20℃; for 4h; Inert atmosphere;	100%
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In toluene at 20℃; for 4h; Inert atmosphere;	95%

: 78-83-1
2-methyl-propan-1-ol

: 20632-12-6
1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propan-1-one

: 6-[1-(2-methylpropan-1-yloxy)propyl]-2,3-dihydro-1,4-benzodioxine

Conditions

Conditions	Yield
Stage #1: 2-methyl-propan-1-ol; 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propan-1-one With sodium tetrahydroborate at 20℃; Stage #2: With hydrogenchloride In water at 60℃; for 4h;	100%

: 78-83-1
2-methyl-propan-1-ol

: 18212-83-4
1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-phenylethanone

: 6-[1-(2-methylpropan-1-yloxy)-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine

Conditions

Conditions	Yield
Stage #1: 2-methyl-propan-1-ol; 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-phenylethanone With sodium tetrahydroborate at 20℃; Stage #2: With hydrogenchloride In water at 60℃; for 5h;	100%

: 78-83-1
2-methyl-propan-1-ol

: 100-47-0
benzonitrile

: isobutyl benzimidate

Conditions

Conditions	Yield
With acetyl chloride at 0 - 20℃; for 24.5h;	100%
With acetyl chloride at 0 - 20℃; for 24h;	58%
With acetyl chloride at 0 - 25℃; Schlenk technique;

: 78-83-1
2-methyl-propan-1-ol

: C31H40N4O7

: C36H50N4O7

Conditions

Conditions	Yield
Stage #1: C31H40N4O7 With dmap; 2,4,6-trichlorobenzoyl chloride; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide In dichloromethane for 0.0833333h; Stage #2: 2-methyl-propan-1-ol In dichloromethane at 20℃; for 1h;	100%

: 78-83-1
2-methyl-propan-1-ol

: 79-31-2
isobutyric Acid

: 97-85-8
isobutyl isobutanoate

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium hydrogen sulfate at 80℃; under 760.051 Torr; for 3h; Reagent/catalyst; Temperature;	99.8%
With sulfuric acid
With titanium(IV) oxide at 235℃;

2-Methyl-1-propanol Consensus Reports

Reported in EPA TSCA Inventory.

2-Methyl-1-propanol Standards and Recommendations

OSHA PEL: TWA 50 ppm
ACGIH TLV: TWA 50 ppm
DFG MAK: 100 ppm (310 mg/m³)
DOT Classification: 3; Label: Flammable Liquid

2-Methyl-1-propanol Analytical Methods

For occupational chemical analysis use NIOSH: Alcohols II, 1401.

2-Methyl-1-propanol Specification

Isobutanol, also known as Isobutyl alcohol, is colorless, flammable liquid with a characteristic smell has three isomers including n-butanol, 2-butanol, and tert-butanol. Isobutanol is miscible with ethanol and ether. What's more, it is mainly used as a solvent. Compared to ethanol, isobutanol is better candidates for gasoline replacement because it has an energy density.

Preparation: Isobutanol can be obtained by many methods.

1. Carbonyl synthesis: Use propylene and syngas as raw material. Firstly, n-butyraldehyde and iso-butyraldehyde is synthesized by carbonyl synthesis. Secondly, take off the catalyst and be hydrogenated to get n-butanol and isobutanol. Finally, separate the n-butanol and isobutanol by dehydration.

Preparation of Isobutanol

2. Isobutyraldehyde hydrogenation: Isobutyraldehyde goes through liquid-phase hydrogenation reaction in the presence of nickel, then the isobutanol is obtained.

3. Recovered from the byproduct isobutyl oil from production of methanol: isobutyl oil is the byproduct of rectification in the production of methanol. After removal of methanol, salting out, dehydration, and azeotropic distillation, the isobutanol is obtained.

4. Use industrial isobutanol as raw material. Add calcium oxide to dehydrate and dry. Then steam out of isobutanol after 5h. Distillate goes through rectification to get pure product. Azeotropic distillation with cyclohexane, anhydrous isobutanol can be obtained.

Uses: Isobutanol is widely used in technology and industry.

1. Isobutanol is used as a cosolvent of cellulose nitrate and solvent of ethyl cellulose, polyvinyl butyral, a variety of oils, rubber, natural resin.

2. Isobutanol is mainly used as raw material in the production of diisobutyl phthalate which is used as plasticiser and isobutyl acetate which is used in the manufacture of lacquer and similar coatings, in the food industry as a flavouring agent and as diluent of adhesive. There is a small part for the production of isobutyl butyrate, isobutyl lactate, etc.

3. Isobutanol is used as reagent in the determination of calcium, strontium, barium, sodium, potassium, lithium, silver, chlorine and phosphite. It is also used as chemical extractant in production of organic compounds, as mobile phase in thin layer chromatography.

4. In addition, isobutanol is used as paint solvent, varnish remover and ink ingredient.

Safty: Isobutanol is not only irritating to respiratory system and skin, but also has serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If swallowed, seek medical advice immediately and show this container or label. Vapours may cause drowsiness and dizziness. Keep it away from food, drink and animal foodstuffs. The Canadian government announced a ban on isobutanol use in cosmetics in March 2009.

Structure Descriptors:
1. Smiles:C(CO)(C)C
2. InChI:InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

Toxicity:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	intravenous	725mg/kg (725mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 16, Pg. 1, 1920.
guinea pig	LD50	intraperitoneal	1201mg/kg (1201mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
hamster	LD50	intraperitoneal	1401mg/kg (1401mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
mouse	LD50	intraperitoneal	544mg/kg (544mg/kg)	LIVER: OTHER CHANGES	Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
mouse	LD50	intravenous	417mg/kg (417mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit	LD50	intraperitoneal	323mg/kg (323mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit	LD50	skin	3400mg/kg (3400mg/kg)		Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 11, 1974.
rabbit	LDLo	oral	3750mg/kg (3750mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC	Journal of Laboratory and Clinical Medicine. Vol. 10, Pg. 985, 1925.
rat	LCLo	inhalation	8000ppm/4H (8000ppm)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat	LD50	intraperitoneal	720mg/kg (720mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat	LD50	intravenous	340mg/kg (340mg/kg)		EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat	LD50	oral	2460mg/kg (2460mg/kg)		AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Product Name

2-Methyl-1-propanol

Synthetic route

2-Methyl-1-propanol Consensus Reports

2-Methyl-1-propanol Standards and Recommendations

2-Methyl-1-propanol Analytical Methods

2-Methyl-1-propanol Specification

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