Chloro-tert-butanol supplier

Name
1-CHLORO-2-METHYL-2-PROPANOL
EINECS 209-196-4
CAS No. 558-42-9
Article Data51
CAS DataBase
Density 1.058
Solubility
Melting Point -20°C
Formula C4H9 Cl O
Boiling Point 131 ºC at 760 mmHg
Molecular Weight 108.568
Flash Point 61 ºC
Transport Information UN 1987
Appearance CLEAR COLOURLESS TO YELLOW LIQUID
Safety 23-24/25
Risk Codes R10
Molecular Structure
Hazard Symbols
Synonyms 1,1-Dimethyl-2-chloroethylalcohol; 1-Chloro-2-methyl-2-propanol; 2-Chloro-1,1-dimethylethanol;Chloro-tert-butyl alcohol; Isobutylene chlorohydrin; NSC 46574
PSA 20.23000
LogP 0.99610

Synthetic route

: 829-95-8
4-hydroxy-4-methyl-1-phenyl-2-thiapentane

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 63196-87-2
1-benzylthio-2-methylpropene

C: 880-22-8
benzyl 3-methylbut-2-en-1-yl sulfide

D: 112425-40-8
4,4-dimethylisothiochroman

Conditions

Conditions	Yield
aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature; Further byproducts given;	A 10% B 30% C 2% D 50%

...Expand

: 829-95-8
4-hydroxy-4-methyl-1-phenyl-2-thiapentane

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 63196-87-2
1-benzylthio-2-methylpropene

C: 112425-40-8
4,4-dimethylisothiochroman

D: 4,4,6-trimethylisothiochroman

Conditions

Conditions	Yield
aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature; Further byproducts given;	A 10% B 30% C 50% D 2%

...Expand

: 829-95-8
4-hydroxy-4-methyl-1-phenyl-2-thiapentane

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 880-22-8
benzyl 3-methylbut-2-en-1-yl sulfide

C: 112425-40-8
4,4-dimethylisothiochroman

D: 4,4,6-trimethylisothiochroman

Conditions

Conditions	Yield
aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature; Further byproducts given;	A 10% B 2% C 50% D 2%

...Expand

: 563-47-3
3-Chloro-2-methylpropene

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With sulfuric acid; water for 2.5h; Ambient temperature;	44%
With sodium tetrahydroborate; mercury(II) diacetate Product distribution; 2.) EtOH, -4 to +4 deg C, 20 min;
With sulfuric acid at 5 - 10℃;

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

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether

: 594-37-6
1,2-dichloro-2-methylpropane

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With water Hydrolysis;
With water; calcium carbonate Hydrolysis;
With water

: 513-37-1
2-methylprop-1-enyl chloride

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With sulfuric acid at -10 - 0℃;
With perchloric acid
With nitric acid

: 917-64-6
methyl magnesium iodide

: 105-39-5
chloroacetic acid ethyl ester

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
Destillation des Reaktionsprodukts unter Normaldruck;

: 75-16-1
methylmagnesium bromide

: 105-39-5
chloroacetic acid ethyl ester

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With diethyl ether

: 105-39-5
chloroacetic acid ethyl ester

: 78-95-5
chloroacetone

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
bei dieser Bildung ist Methylmagnesiumjodid nicht anwendbar;

: 917-64-6
methyl magnesium iodide

: 78-95-5
chloroacetone

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With diethyl ether

: 75-16-1
methylmagnesium bromide

: 78-95-5
chloroacetone

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With diethyl ether

: methylmagnesium iodide

: 78-95-5
chloroacetone

: 558-42-9
3-chloro-2-methylpropan-2-ol

: methylmagnesium iodide

: 78-95-5
chloroacetone

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
Einw. von 2 Mol.-Gew.Methylmagnesiumjodid;

...Expand

: methyl magnesium (1+); bromide

: 78-95-5
chloroacetone

: 558-42-9
3-chloro-2-methylpropan-2-ol

: methyl magnesium (1+); bromide

: 78-95-5
chloroacetone

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 598-75-4
3-methyl-2-butanol

Conditions

Conditions	Yield
Einw. von 2 Mol.-Gew.Methylmagnesiumbromid;

...Expand

: methyl magnesium (1+); bromide

: 79-04-9
chloroacetyl chloride

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 598-75-4
3-methyl-2-butanol

...Expand

: 513-36-0
isobutyryl chloride

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 14093-73-3
2-chloro-1,1-dimethyl-ethyl hydroperoxide

Conditions

Conditions	Yield
With hydrogen bromide; oxygen at 170℃;

: 3135-74-8
chlorourea

: 115-11-7
isobutene

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With sulfuric acid

: 115-11-7
isobutene

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With hypochloric acid
With water; chlorine
With N-chloro-succinimide In water
With water; chlorine

: 507-40-4
tert-butylhypochlorite

: 75-65-0
tert-butyl alcohol

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With water
With water

: 5723-74-0
tert-butanol radical

: 82621-82-7
1-chloropiperidine-2,6-dione

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 94694-72-1
glutarimidyl radical

Conditions

Conditions	Yield
With ruthenium(II); dinitrogen monoxide; tert-butyl alcohol In water at 22 - 23℃; Rate constant; Irradiation;

...Expand

: 75-65-0
tert-butyl alcohol

A: 110-03-2
2,5-dimethyl-2,5-hexanediol

B: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
With dihydrogen peroxide; iron(II) chloride In water at 0 - 20℃; for 0.5h; pH=2; Dimerization; chlorination;	A 0.017 mmol B 0.127 mmol

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

: 7647-01-0
hydrogenchloride

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 558-38-3
2-chloro-2-methyl-1-propanol

...Expand

: 3135-74-8
chlorourea

: 7664-93-9
sulfuric acid

: 7732-18-5
water

: 115-11-7
isobutene

: 558-42-9
3-chloro-2-methylpropan-2-ol

...Expand

: 13898-47-0
hypochloric acid

: 115-11-7
isobutene

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 563-47-3
3-Chloro-2-methylpropene

H2SO4 (1 mol 80 percent ): H2SO4 (1 mol 80 percent )

: 558-42-9
3-chloro-2-methylpropan-2-ol

Conditions

Conditions	Yield
at 5 - 10℃; die Hydratisierung erfolgt auch durch andere Saeuren;

: 105-39-5
chloroacetic acid ethyl ester

methyl magnesium halides: methyl magnesium halides

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 78-95-5
chloroacetone

methyl magnesium halide: methyl magnesium halide

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 78-95-5
chloroacetone

methyl magnesium halide: methyl magnesium halide

A: 558-42-9
3-chloro-2-methylpropan-2-ol

B: 598-75-4
3-methyl-2-butanol

...Expand

: 41383-84-0
1,2-bis(mercaptomethyl)benzene

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 442519-01-9
α,α'-bis(3-hydroxy-3-methyl-1-thiabutyl)-o-xylene

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 1h;	100%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 994-30-9
triethylsilyl chloride

: 1428776-16-2
((1-chloro-2-methylpropan-2-yl)oxy)triethylsilane

Conditions

Conditions	Yield
With 4-methyl-morpholine In dichloromethane at 20℃; for 36h;	100%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 148185-66-4
4,7-dibromo-1H-benzo[d]imidazole

: 1-(4,7-dibromo-1H-benzimidazol-1-yl)-2-methylpropan-2-ol

Conditions

Conditions	Yield
Stage #1: 3-chloro-2-methylpropan-2-ol; 4,7-dibromo-1H-benzo[d]imidazole With potassium carbonate In ethanol at 20℃; for 0.25h; Stage #2: In ethanol at 100℃; for 72h;	100%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 31557-15-0
(2-chloro-1,1-dimethyl-ethoxy)-trimethyl-silane

Conditions

Conditions	Yield
With SBA-15-supported cobalt(II) nanocatalyst In neat (no solvent) at 20℃; for 1.5h;	99%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 108-24-7
acetic anhydride

: 57576-87-1
acetic acid-(chloro-tert-butyl ester)

Conditions

Conditions	Yield
With sodium hydroxide for 0.0180556h; microwave irradiation;	98%
With SiO2-supported Co(II) Salen complex catalyst at 50℃; for 1h;	98%
With iron oxide nanoparticles supported on porous silicates SBA-15 In neat (no solvent) at 40℃; for 0.5h;	92%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 4198-90-7
3,5-dimethyl-4-hydroxybenzonitrile

: 924300-38-9
4-(2-hydroxy-2-methylpropoxy)-3,5-dimethyl benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In ethanol; water for 24h; Heating / reflux;	97%
With potassium carbonate In ethanol; water for 24h; Heating / reflux;	97%
With potassium carbonate In ethanol; water at 20℃; for 24h; Reflux;	97%
With potassium carbonate In ethanol; water for 24h; Reflux;	97%
With potassium carbonate In ethanol; water for 24h; Heating / reflux;	97%

: 3469-69-0
4-iodopyrazole

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 1298032-45-7
1-(4-iodo-1H-pyrazol-1-yl)-2-methylpropan-2-ol

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 160℃; for 0.666667h; sealed tube; microwave irradiation;	97%
With caesium carbonate In N,N-dimethyl-formamide at 160℃; for 0.666667h;	97%
With caesium carbonate In N,N-dimethyl-formamide at 110℃; for 48h;	73.6%
With potassium phosphate In N,N-dimethyl-formamide at 50℃; for 10h;	58%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 767-00-0
4-cyanophenol

: 1182426-00-1
4-(2-hydroxy-2-methylpropoxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In ethanol; water at 80℃; for 16h;	94%

: 269410-08-4
pyrazole-4-boronic acid pinacol ester

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 2-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-2-ol

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 160℃; for 2.5h; Microwave irradiation;	94%

: 558-42-9
3-chloro-2-methylpropan-2-ol

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

Conditions

Conditions	Yield
With potassium hydroxide at -15℃; under 500 Torr; for 5h; Epoxidation; Cyclization;	92%
With potassium hydroxide
With sodium hydroxide; water

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 1361189-68-5
3-[1-(4-bromophenyl)cyclobutyl]-5-(1H-pyrazol-4-yl)-[1,2,4]oxadiazole

: 1361190-12-6
1-(4-{3-[1-(4-bromophenyl)cyclobutyl]-[1,2,4]oxadiazol-5-yl}pyrazol-1-yl)-2-methylpropan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 40h; Inert atmosphere;	92%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 106-45-6
para-thiocresol

: 2-methyl-1-[(4-methylphenyl)sulfanyl]propan-2-ol

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 20℃; for 2h; Reflux;	91%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 196081-71-7
2-bromo-3-hydroxy-benzaldehyde

: 2-bromo-3-(2-hydroxy-2-methylpropoxy)benzaldehyde

Conditions

Conditions	Yield
With sodium carbonate In dimethyl sulfoxide at 140℃; for 3h;	90.3%
With sodium carbonate In dimethyl sulfoxide at 140℃; for 3h;	90.3%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 143-33-9
sodium cyanide

: 13635-04-6
3-hydroxy-3-methylbutyronitrile

Conditions

Conditions	Yield
In ethanol; water for 3h; Heating / reflux;	90%
In ethanol; water for 1h; Heating;	51%

: 773837-37-9
sodium cyanide

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 13635-04-6
3-hydroxy-3-methylbutyronitrile

Conditions

Conditions	Yield
In ethanol; water for 3h; Reflux;	90%
In ethanol; water for 3h; Reflux;	250 mg

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 1346243-08-0
N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)quinoxaline-6-amine

: 1346243-83-1
C27H31N5O3

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 72h;	90%

: 109-80-8
1.3-propanedithiol

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 4,8-dithia-2,10-dimethylundecane-2,10-diol

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 4 - 20℃; for 14.5h;	90%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 1299420-88-4
2-chloro-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one

: 1352623-86-9
2-chloro-7-(2-hydroxy-2-methylpropyl)-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 3h;	90%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: (S)-1-(6-methoxy-5-methylpyridin-3-yl)-3-(piperidin-3-ylmethoxy)-4,5,7,8-tetrahydro-1H-oxepino[4,5-c]pyrazole

: (S)-1-(3-(((1-(6-methoxy-5-methylpyridin-3-yl)-4,5,7,8-tetrahydro-1H-oxepino[4,5-c]pyrazol-3-yl)oxy)methyl)piperidin-1-yl)-2-methylpropan-2-ol

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In ethanol at 90℃; for 8h; Microwave irradiation;	86%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 1334167-18-8
2-methyl-8-morpholin-4-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine

: 1609367-74-9
2-methyl-1-[4-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl)pyrazol-1-yl]propan-2-ol

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 160℃; for 0.666667h; Microwave irradiation;	82%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 2873-29-2
D-glucal triacetate

: 121237-58-9, 121237-65-8
Acetic acid (2R,3S)-2-acetoxymethyl-6-(2-chloro-1,1-dimethyl-ethoxy)-3,6-dihydro-2H-pyran-3-yl ester

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In benzene for 0.133333h; Ambient temperature;	80%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 28075-29-8
N-methyl-3,3-diphenylpropylamine

: 100442-33-9
2,N-dimethyl-N-(3,3-diphenylpropyl)-1-amino-2-propanol

Conditions

Conditions	Yield
In xylene for 8.5h; Heating;	80%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 682-00-8
tributyltin ethoxide

: 35952-62-6
(C4H9)3SnOC(CH3)2CH2Cl

Conditions

Conditions	Yield
byproducts: C2H5OH; heating of equimolar amts. of educts, removing of alc.;	79%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 1067-52-3
tributyltin methoxide

: 35952-62-6
(C4H9)3SnOC(CH3)2CH2Cl

Conditions

Conditions	Yield
byproducts: CH3OH; heating of equimolar amts. of educts, removing of alc.;	79%

: 288-32-4
1H-imidazole

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 1,3-di-(2-methyl-2-hydroxypropyl)imidazolium chloride

Conditions

Conditions	Yield
Stage #1: 1H-imidazole With sodium In methanol for 4h; Inert atmosphere; Stage #2: 3-chloro-2-methylpropan-2-ol In methanol at 20 - 50℃; for 52h; Inert atmosphere;	79%

: 2075-46-9
4-nitro-1H-pyrazole

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 1182917-01-6
2-methyl-1-(4-nitro-1H-pyrazol-1-yl)propan-2-ol

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 5h;	78%
With caesium carbonate In N,N-dimethyl-formamide at 100℃; for 14h;	64%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 112-90-3
(Z)-9-octadecen-1-amine

: N-(2-methyl-2-hydroxypropane)-N-oleylamine

Conditions

Conditions	Yield
In ethanol at 40℃; for 3h;	78%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 3-butyl-4-(4-cyclohexyloxyphenyl)-6-(piperidin-4-yloxy)pyridazine dihydrochloride

: 1-{4-[6-butyl-5-(4-cyclohexyloxyphenylpyridazin-3-yl)oxy]-piperidin-1-yl}-2-methylpropan-2-ol dihydrochloride

Conditions

Conditions	Yield
Stage #1: 3-chloro-2-methylpropan-2-ol; 3-butyl-4-(4-cyclohexyloxyphenyl)-6-(piperidin-4-yloxy)pyridazine dihydrochloride With potassium carbonate In ethanol at 50℃; for 4h; Stage #2: With hydrogenchloride In diethyl ether; dichloromethane at 20℃; for 0.166667h;	77%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 133071-22-4
[1-(dimethylamino)-8-naphthyl]lithium

: 7704-34-9
sulfur

: 1-{8-(N(CH3)2)naphthalen-1-yl}SCH2C(CH3)2OH

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Schlenk technique;	76%

...Expand

: 3943-74-6
4-hydroxy-3-methoxybenzoic acid methyl ester

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 1392467-12-7
methyl 4-(2-hydroxy-2-methyl-propoxy)-3-methoxy-benzoate

Conditions

Conditions	Yield
With caesium carbonate In methanol at 80℃; for 4h;	76%

Chloro-tert-butanol Chemical Properties

The molecular structure of 2-Propanol,1-chloro-2-methyl- (CAS NO.558-42-9) is

IUPAC Name: 1-Chloro-2-methylpropan-2-ol
Canonical SMILES: CC(C)(CCl)O
Molecular Formula: C₄H₉ClO
Molecular Weight: 108.5667
EINECS: 209-196-4
Density: 1.048 g/cm³
Boiling Point: 131 ºC at 760 mmHg
Flash Point: 61 ºC
Appearance: Clear colourless to yellow liquid
Freely Rotating Bonds: 2
Polar Surface Area: 9.23 Å²
Index of Refraction: 1.433
Molar Refractivity: 26.93 cm³
Molar Volume: 103.5 cm³
Polarizability: 10.67 ×10^-24 cm³
Surface Tension: 29.6 dyne/cm
Enthalpy of Vaporization: 42.95 kJ/mol
Vapour Pressure: 4.2 mmHg at 25°C
The Cas Register Number of 2-Propanol,1-chloro-2-methyl- is 558-42-9. The chemical synonyms of 2-Propanol,1-chloro-2-methyl- (CAS NO.558-42-9) are Chloro-tert-butanol ; Chloro-tert-butyl alcohol ; 1-Chloro-2-methylpropanol-2-ol ; 1-Chloro-2-methyl-2-propanol ; 2-Chloro-tert-butyl alcohol ; 1-chloro-2-methylpropan-2-ol ; 1-Chloro-2-methyl-2-propanol (intermediate of lercanidipine) ; 1-chloro-2-methyl-propan-ol . Product categories are Alcohols ; Chlorine Compounds .

Chloro-tert-butanol Uses

2-Propanol,1-chloro-2-methyl- (CAS NO.558-42-9) is used aas intermediate of lercanidipine.

Chloro-tert-butanol Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 10
R10: Flammable.
Safety Statements: 23-23/25
R23: Toxic by inhalation.
R23/25: Toxic by inhalation and if swallowed.
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III

Product Name

1-CHLORO-2-METHYL-2-PROPANOL

Synthetic route

Chloro-tert-butanol Chemical Properties

Chloro-tert-butanol Uses

Chloro-tert-butanol Safety Profile

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