2,2-Dimethylpropanol supplier

Name
2,2-Dimethyl-1-propanol
EINECS 200-907-3
CAS No. 75-84-3
Article Data168
CAS DataBase
Density 0.811 g/cm³
Solubility water: 3.5 g/100 mL at 25 °C
Melting Point 52-56 °C(lit.)
Formula C₅H₁₂O
Boiling Point 113.1 °C at 760 mmHg
Molecular Weight 88.1497
Flash Point 36.7 °C
Transport Information UN 1325 4.1/PG 2
Appearance colorless waxy crystalline solid
Safety 16-26-36/37-7/9-33
Risk Codes 10-36/37-11
Molecular Structure
Hazard Symbols Xi,F
Synonyms 2,2,2-Trimethylethanol;2,2-Dimethyl-1-propanol;2,2-Dimethylpropyl alcohol;Neoamyl alcohol;Neopentanol;Neopentyl alcohol;tert-Butylcarbinol;a,a-Dimethylpropanol;
PSA 20.23000
LogP 1.02480

Synthetic route

: 872802-13-6
titanium isopropoxide

A: 75-84-3
2,2-dimethyl-propanol-1

B: titanium(IV) oxide

C: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In gas byproducts: (CH3)2CCHCH3, CH3CH2C(CH3)CH2; decomposition at a pressure of ca. 0.01 mm of Hg at 550°C; further compound: H2 was obtained with a yield of <0.5%; dineopentane, neopentane and/or 1,1-dimethylcyclopropane were not obtained; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra;	A 100% B n/a C <1

...Expand

: 630-19-3
pivalaldehyde

: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With isopropyl alcohol; zirconium(IV) oxide for 4h; Rate constant; Heating;	99%
With isopropyl alcohol; zirconium(IV) oxide for 4h; Heating;	99%
With air; H2[Y5(μ4-O)(μ3-O)4(μ-η2-Ph2acac)4(η2-Ph2acac)6] In dichloromethane for 12h;	71%

: 4,4,5,5-tetramethyl-2-(neopentyloxy)-1,3,2-dioxaborolane

: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With silica gel In methanol at 50℃; for 3h;	93%
With methanol; silica gel at 50℃; for 3h;	90%
With methanol; silica gel at 50℃; for 1.91667h;	92 %Spectr.
With water; silica gel In hexane; ethyl acetate

: 598-98-1
Methyl pivalate

: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With lithium borohydride In methanol; diethyl ether for 0.25h; Heating;	92%
With zinc(II) tetrahydroborate In tetrahydrofuran at 67℃; for 6h;	77%
With sodium tetrahydroborate In methanol; tert-butyl alcohol Heating;	76 % Chromat.

: 3282-30-2
pivaloyl chloride

: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With zinc(II) tetrahydroborate; N,N,N,N,-tetramethylethylenediamine In diethyl ether at 25℃; for 2h;	88%
With lithium aluminium tetrahydride; diethyl ether
With diethyl ether; tert-butylmagnesium chloride

: 68-26-8
RETINOL

: 630-19-3
pivalaldehyde

A: 75-84-3
2,2-dimethyl-propanol-1

B: 116-31-4
all-trans-Retinal

Conditions

Conditions	Yield
With aluminum isopropoxide In water	A n/a B 87%
With aluminum isopropoxide In water

...Expand

: 598-98-1
Methyl pivalate

: 762-72-1
allyl-trimethyl-silane

A: 75-84-3
2,2-dimethyl-propanol-1

B: 19550-89-1
2,2-dimethyl-5-hexen-3-ol

Conditions

Conditions	Yield
With indium (III) iodide; Dimethylphenylsilane In dichloromethane at 20℃; for 1.66667h; Inert atmosphere; chemoselective reaction;	A 29 %Spectr. B 30%

...Expand

: 3536-96-7
vinylmagnesium chloride

: 590-86-3
isovaleraldehyde

A: 60041-31-8, 61348-36-5, 24580-44-7
4,4-dimethylpent-1-en-3-ol

B: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
	A 16% B 4.5%

...Expand

: 75-91-2
tert.-butylhydroperoxide

: bromobis(neopentyloxy)aluminum

A: 75-84-3
2,2-dimethyl-propanol-1

B: 5340-26-1
neopentyl pivalate

C: 630-19-3
pivalaldehyde

D: 75-65-0
tert-butyl alcohol

E: 75-98-9
Trimethylacetic acid

F Al(OH)3: Al(OH)3

Conditions

Conditions	Yield
With sulfuric acid; diethylamine Product distribution; Mechanism;	A 1% B n/a C n/a D n/a E n/a F n/a

...Expand

: 107-39-1
2,4,4-trimethyl-1-pentene

: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide

: 50-00-0
formaldehyd

: 2259-30-5
tert-butylmagnesium bromide

: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With diethyl ether

: 50-00-0
formaldehyd

: 677-22-5
tert-butylmagnesium chloride

: 75-84-3
2,2-dimethyl-propanol-1

: 40894-00-6
3-bromo-2,2-dimethyl-propan-1-ol

: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With sodium
With methanol; sodium amalgam; water

: 107-31-3
Methyl formate

: 677-22-5
tert-butylmagnesium chloride

A: 75-84-3
2,2-dimethyl-propanol-1

B: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With diethyl ether at -15 - -10℃;

...Expand

: 754-10-9
2,2-dimethylpropionamide

A: 5813-64-9
2,2-dimethylpropylamine

B: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With ethanol; sodium
With sec.octyl alcohol; sodium
With dodecacarbonyl-triangulo-triruthenium; hydrogen; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 160℃; under 75007.5 Torr; for 16h; Inert atmosphere;

: 754-10-9
2,2-dimethylpropionamide

: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
With ethanol; sodium
With water; hydrogen at 59.84℃; under 60006 Torr; for 48h;
With C24H20ClN2OPRu; potassium tert-butylate; hydrogen In tetrahydrofuran at 110℃; under 10640.7 Torr; for 36h; Inert atmosphere; Schlenk technique;	42 %Chromat.

: neopentyloxycarboximidoylmercapto-acetic acid ; hydrobromide

A: 2295-31-0
2,4-thiazolidinedion

B: 75-84-3
2,2-dimethyl-propanol-1

Conditions

Conditions	Yield
at 150℃;

: 693-03-8
n-butyl magnesium bromide

: 60-29-7
diethyl ether

: 3282-30-2
pivaloyl chloride

A: 19549-70-3
2,2-dimethyl-heptan-3-ol

B: 75-84-3
2,2-dimethyl-propanol-1

...Expand

: 60-29-7
diethyl ether

: 926-62-5
isobutylmagnesium bromide

: 3282-30-2
pivaloyl chloride

A: 3970-60-3
tertbutylisobutylcarbinol

B: 75-84-3
2,2-dimethyl-propanol-1

...Expand

: 60-29-7
diethyl ether

: 27720-98-5
isobutylmagnesium iodide

: 3282-30-2
pivaloyl chloride

A: 3970-60-3
tertbutylisobutylcarbinol

B: 75-84-3
2,2-dimethyl-propanol-1

...Expand

: 60-29-7
diethyl ether

: 28276-08-6
1,1-dimethylpropylmagnesium chloride

: 3282-30-2
pivaloyl chloride

: 75-84-3
2,2-dimethyl-propanol-1

...Expand

2,2-dimethyl-propanol-1: 2,2-dimethyl-propanol-1

: 882-33-7
diphenyldisulfane

: 7210-80-2
neopentyl phenyl sulphide

Conditions

Conditions	Yield
With tributylphosphine In tetrahydrofuran at 62℃; under 7500600 Torr; for 3h; other pressures and times; var. prim. and sec. alcohols;	100%
With tributylphosphine In tetrahydrofuran at 62℃; under 7500600 Torr; for 3h;	100%

: 75-84-3
2,2-dimethyl-propanol-1

: 586-76-5
4-Bromobenzoic acid

: 104110-51-2
4-Bromo-benzoic acid 2,2-dimethyl-propyl ester

Conditions

Conditions	Yield
With sulfuric acid In toluene	100%

: 75-84-3
2,2-dimethyl-propanol-1

: 100-09-4
4-methoxybenzoic acid

: 3581-72-4
neopentyl 4-methoxybenzoate

Conditions

Conditions	Yield
With sulfuric acid In toluene	100%

: 75-84-3
2,2-dimethyl-propanol-1

: (2S,3S,4R,5R)-2-Acetoxy-3,4,5-tris-benzyloxy-piperidine-1-carboxylic acid benzyl ester

: 161418-75-3
neopentyl 2,3,4-tri-O-benzyl-5-benzyloxycarbonylamino-5-deoxy-β-D-arabinopyranoside

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate; 4 A molecular sieve In dichloromethane at 0℃; for 1.08333h; Substitution;	100%

: 75-84-3
2,2-dimethyl-propanol-1

: 728-87-0
4,4'-Dimethoxybenzhydrol

A: 726-18-1
4,4'-dianisylmethane

B: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With o-benzenedisulfonimide at 80℃; for 8h;	A 100% B n/a

...Expand

: 75-84-3
2,2-dimethyl-propanol-1

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

: 18246-63-4
2,2-dimethyl-1-trimethylsiloxypropane

Conditions

Conditions	Yield
With Nafion SAC-13 at 20℃; for 0.0666667h;	98%
With aluminum potassium sulfate dodecahydrate In acetonitrile at 20℃; for 0.333333h;	88%
With melamine-N2,N4,N6-trisulfonic acid at 20℃; for 0.25h; neat (no solvent); chemoselective reaction;	87%

: 75-84-3
2,2-dimethyl-propanol-1

: 98-58-8
4-bromobenzenesulfonyl chloride

: 14248-15-8
4-bromo-benzenesulfonic acid 2,2-dimethylpropyl ester

Conditions

Conditions	Yield
With pyridine In chloroform at -5 - 20℃; for 1h;	98%
With pyridine; dmap In dichloromethane at 20℃; for 21h; Inert atmosphere;	95%
Stage #1: 2,2-dimethyl-propanol-1; 4-bromobenzenesulfonyl chloride In pyridine at 20℃; Stage #2: With sodium hydrogencarbonate In pyridine; water	85%

: 75-84-3
2,2-dimethyl-propanol-1

: 1424-52-8
p-tolylsulfonyl isothiocyanate

: 175725-45-8
neopentyl N-toluenesulfonyl thioxocarbamate

Conditions

Conditions	Yield
In benzene for 4h; Heating;	98%

: (1-[2-(benzyloxy)-2-oxoethoxy]-8-(methoxycarbonyl)-11-oxo-dibenzo[b,f][1,4]oxazepine-10(11H)-yl)-acetic acid

: 75-84-3
2,2-dimethyl-propanol-1

: 1-(2-benzyloxy-2-oxoethoxy)-10-(2-(2',2'-dimethylpropoxy)-2-oxoethyl)-11-oxo-10,11-dihydro-dibenzo[b,f][1,4]oxazepine-8-carboxylic acid methyl ester

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 16h;	98%

: 2-bromo-1,3-di-mesityl-2,3-dihydro-1H-1,3,2-diazaphosphole

: 75-84-3
2,2-dimethyl-propanol-1

: 1,3-dimesityl-2-(neopentyloxy)-2,3-dihydro-1H-1,3,2-diazaphosphole

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 4h; Inert atmosphere; Schlenk technique;	98%

: 75-84-3
2,2-dimethyl-propanol-1

: 2,4,4,5,5-pentamethyl-1,3,2-dioxaphospholane

: 2-(2,2-Dimethyl-propoxy)-2,4,4,5,5-pentamethyl-2λ5-[1,3,2]dioxaphospholane

Conditions

Conditions	Yield
In benzene	97%

: 75-84-3
2,2-dimethyl-propanol-1

: 220545-48-2
N-(1-methylpyrazole-4-sulfonyl)-L-(5,5-dimethyl)thiaprolyl-L-4-(N,N-dimethylcarbamyloxy)phenylalanine isopropyl ester

: N-(1-methylpyrazole-4-sulfonyl)-L-(5,5-dimethyl)thiaprolyl-L-4-(N,N-dimethylcarbamyloxy)phenylalanine 2,2-dimethylpropyl ester

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 100℃; for 48h;	97%
With titanium(IV) isopropylate

: 75-84-3
2,2-dimethyl-propanol-1

: 563-76-8
α-bromopropionyl bromide

: 5441-01-0
2,2-dimethylpropyl 2-bromopropanoate

Conditions

Conditions	Yield
With pyridine In dichloromethane	97%

: 75-84-3
2,2-dimethyl-propanol-1

: C17H16Cl3NOS

: 1082828-86-1
C20H26OS

Conditions

Conditions	Yield
With (S)-3,3'-bis(2,4,6-tri-iso-propylphenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate In toluene at 20℃; for 12h; Inert atmosphere;	97%

: 75-84-3
2,2-dimethyl-propanol-1

: 1314639-86-5
di-tert-butylisobutylsilyl trifluoromethanesulfonate

: 1314639-97-8
di-tert-butylisobutyl(neopentyloxy)silane

Conditions

Conditions	Yield
With dmap; triethylamine In 1,4-dioxane at 20 - 65℃; for 48h; Inert atmosphere;	96%

: 75-84-3
2,2-dimethyl-propanol-1

: 49623-71-4
2,4,6-triisopropylbenzoic acid

: neopentyl 2,4,6-triisopropylbenzoate

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 16h; Inert atmosphere;	96%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃;	93%

: 75-84-3
2,2-dimethyl-propanol-1

: 106-47-8
4-chloro-aniline

: 65854-91-3
N-(4-chlorophenyl)-2,2-dimethylpropionamide

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 2,2,2-Trifluoroacetophenone; cesium acetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In tetrahydrofuran at 80℃; for 24h;	96%

: 75-84-3
2,2-dimethyl-propanol-1

: 874-90-8
4-methoxybenzonitrile

: 79615-68-2
4-(neopentyloxy)benzonitrile

Conditions

Conditions	Yield
With phosphazene base-P4-tert-butyl In tetrahydrofuran; hexane at 50℃; for 18h; Reagent/catalyst; Solvent; Temperature; Molecular sieve; Sealed tube; Inert atmosphere; chemoselective reaction;	96%

: 75-84-3
2,2-dimethyl-propanol-1

: 35505-36-3
neopentyl chlorosulfite

Conditions

Conditions	Yield
With thionyl chloride at 0 - 70℃; for 48h;	95%
With thionyl chloride In dichloromethane for 0.5h; Ambient temperature;	81%
With thionyl chloride; diethyl ether anfangs bei -15grad,zuletzt bei 70grad;
Multi-step reaction with 2 steps 1: diethyl ether; pyridine / -15 °C 2: diethyl ether; thionyl chloride / anfangs bei -15grad,zuletzt bei 70grad View Scheme

: 75-84-3
2,2-dimethyl-propanol-1

: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; bisacetoxybromate(I) resin In dichloromethane at 20℃; for 3.5h;	95%
In neat (no solvent) at 20℃; for 0.0666667h; Microwave irradiation;	90%
With quinolinium monofluorochromate(VI) In hexane at 20℃; for 2h;	79%

2,2-Dimethylpropanol Specification

The 2,2-Dimethylpropanol , its cas register number is 75-84-3, is also called Neopentyl alcohol ; 2,2-Dimethyl-1-propanol . Its IUPAC name is 2,2-dimethylpropan-1-ol . And its systematic name is also named as 2,2-dimethylpropan-1-ol with the structure description of SMILES of OCC(C)(C)C. 2,2-Dimethylpropanol is not compatible with strong oxidizing agents. And it should avoid the condition of incompatible materials, ignition sources. And its hazardous decomposition products: carbon monoxide, carbon dioxide. While, its hazardous polymerization has not been reported.

The physical properties of 2,2-Dimethylpropanol are: (1) H bond acceptors: 1; (2) H bond donors: 1; (3) Freely Rotating Bonds: 2; (4) Index of Refraction: 1.406; (5) Molar Refractivity: 26.71 cm³; (6) Molar Volume: 108.6 cm³; (7) Surface Tension: 25 dyne/cm; (8) Enthalpy of Vaporization: 40.98 kJ/mol; (9) Vapour Pressure: 10.8 mmHg at 25°C. This compound is highly flammable. So keep it in a well-ventilated place away from sources of ignition and keep container tightly closed. 2,2-Dimethylpropanol Irritates to eyes and respiratory system. Before use it, wear suitable protective clothing and gloves. If contact with eyes accidently, rinse immediately with plenty of water and seek
medical advice.

The 2,2-Dimethylpropanol can be prepared in many ways. For example, 2,2-dimethyl-propionic acid can be used to produce this compound in the solvent of propan-2-ol using the reagents of aq. SnO₂under the temperature of 300 ℃. The yield is about 69%.

The 2,2-Dimethylpropanol is always used to manufacture other compounds such as 1-bromo-2,2-dimethyl-propane ; 2,2-dimethyl-propionaldehyde ; 2,2-dimethyl-propionic acid . For example, 2,2-Dimethylpropanol is used to prepare the 1-bromo-2,2-dimethyl-propane using the reagents of 48percent HBr and the catalyst of aliquat 336 in the solvent of chlorobenzene under the temperature of 85 ℃. The yield is about 30%.

Product Name

2,2-Dimethyl-1-propanol

Synthetic route

2,2-Dimethylpropanol Specification

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