2-Methyl-2-propyl-1,3-propanediol supplier

Name
2-Methyl-2-propyl-1,3-propanediol
EINECS 201-099-5
CAS No. 78-26-2
Article Data7
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point 57-59 °C(lit.)
Formula C₇H₁₆O₂
Boiling Point 234 °C at 760 mmHg
Molecular Weight 132.203
Flash Point 100.5 °C
Transport Information
Appearance white crystalline solid
Safety 22-24/25-39-26
Risk Codes 36-22
Molecular Structure
Hazard Symbols Xn
Synonyms AI3-24844;NSC 26233;2-Methyl-2-propyl-1,3-propanediol;
PSA 40.46000
LogP 0.77740

Synthetic route

: 7148-50-7
5-Methyl-5-n-propyl-1,3-dioxan-2-one

A: 67-56-1
methanol

B: 78-26-2
2-methyl-2-propyl-1,3-propanediol

Conditions

Conditions	Yield
With (bis[(2-diisopropylphosphino)ethyl]amine)Mn(CO)2Br; hydrogen; sodium t-butanolate In tetrahydrofuran at 120℃; under 22502.3 Torr; for 26h; Schlenk technique; Glovebox; Autoclave;	A 94% B 98%

: 50-00-0
formaldehyd

: 123-15-9
2-methylvaleraldehyde

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

Conditions

Conditions	Yield
With potassium hydroxide; water

: 55898-43-6
methylpropylpropanedioic acid diethyl ester

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether
Stage #1: methylpropylpropanedioic acid diethyl ester With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 2h; Stage #2: With water In tetrahydrofuran

: 57-53-4
meprobamate

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

Conditions

Conditions	Yield
With hydrogenchloride determination of concentration by ammonia selective electrodes;

: 50-00-0
formaldehyd

: 123-15-9
2-methylvaleraldehyde

KOH-solution: KOH-solution

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

...Expand

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 124-07-2
Octanoic acid

: Octanoic acid 2-methyl-2-octanoyloxymethyl-pentyl ester

Conditions

Conditions	Yield
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h;	98%
With toluene-4-sulfonic acid Heating; Yield given;

: 149-57-5
2-Ethylhexanoic acid

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 2-methyl-2-propyl-1,3-propane-diol bis(2-ethylhexanoate)

Conditions

Conditions	Yield
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h;	98%

: 143-07-7
lauric acid

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: Dodecanoic acid 2-dodecanoyloxymethyl-2-methyl-pentyl ester

Conditions

Conditions	Yield
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h;	97%
With toluene-4-sulfonic acid Heating; Yield given;

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 334-48-5
1-decanoic acid

: Decanoic acid 2-decanoyloxymethyl-2-methyl-pentyl ester

Conditions

Conditions	Yield
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h;	96%
With toluene-4-sulfonic acid Heating; Yield given;

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 142-62-1
hexanoic acid

: Hexanoic acid 2-hexanoyloxymethyl-2-methyl-pentyl ester

Conditions

Conditions	Yield
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h;	96%
With toluene-4-sulfonic acid Heating; Yield given;

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 10605-24-0
2-methyl-2-[(nitrooxy)methyl]pentyl nitrate

Conditions

Conditions	Yield
With nitric acid; acetic anhydride at 15 - 20℃; for 1h;	90%
With nitric acid; acetic anhydride at 15 - 20℃; for 1h; Cooling with ice;

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 16741-46-1
N-isopropylformamide

: 25462-17-3
N-Mono-isopropyl-2-methyl-2-n-propylpropane-1,3-diol carbamate

Conditions

Conditions	Yield
With dihydrogen peroxide; dicyclohexyl-carbodiimide at 30℃; for 4h; Temperature; Reagent/catalyst;	82%

: 51792-34-8
2,3-dimethoxythiophene

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 3-methyl-3-propyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 110℃; for 24h;	80%

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 7727-18-6
vanadium(V) oxychloride

: {(VOCl)(μ-OCH2C(CH3)(n-C3H7)CH2O)}4

Conditions

Conditions	Yield
In dichloromethane byproducts: HCl; (Ar or N2); to a soln. of 2-methyl-2-propyl-1,3-propanediol added a soln. of VOCl3 and stirred for 30 min; pentane added; stirred for 1 h; evapd.; filtered; elem. anal.;	77.4%

: 676-97-1
methylphosphonic acid dichloroanhydride

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: C8H17O3P

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 15h;	69%

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 57-13-6
urea

: 57-53-4
meprobamate

Conditions

Conditions	Yield
With iron(II) bromide In 1,4-dioxane at 150℃; for 6h; Inert atmosphere; Sealed tube;	65%
With propan-1-ol; aluminum isopropoxide
With aluminum tri-n-butoxide; butan-1-ol
With lead acetate at 160℃;

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 66074-00-8
3,4-bis(phenylsulfonyl)-1,2,5-oxadiazole 2-oxide

: 4-((2-(hydroxymethyl)-2-methylpentyl)oxy)-3-(phenylsulfonyl)-1,2,5-oxadiazole 2-oxide

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at 5℃; for 0.5h;	63%

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: C19H24O7

: C26H38O8

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 12h;	55.1%

: 2-hydroxyhex-4-en-3-one

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 2-hydroxyethyl-5-methyl-2-(1-propenyl)-5-propyl-1,3-dioxane

Conditions

Conditions	Yield
In cyclohexane	40%

: 491-35-0
C6H4NCH2CHCCH2

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: C17H23NO2

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; sulfuric acid; silver nitrate In water; acetone at 50℃; for 24h; Inert atmosphere; Sealed tube; regioselective reaction;	32%

: 75-44-5
phosgene

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 7148-50-7
5-Methyl-5-n-propyl-1,3-dioxan-2-one

Conditions

Conditions	Yield
With antipyrine; chloroform

: 75-44-5
phosgene

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 57-53-4
meprobamate

Conditions

Conditions	Yield
With antipyrine; chloroform; toluene und Behandeln der Reaktionsloesung mit Ammoniak;
(i), (ii) aq. NH3; Multistep reaction;

: 75-44-5
phosgene

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 25457-67-4
2-methyl-1-phenylcarbamoyloxy-2-(phenylcarbamoyloxy-methyl)-pentane

Conditions

Conditions	Yield
und anschliessend mit Anilin;

: 75-44-5
phosgene

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 25648-74-2
1-(4-ethoxy-phenylcarbamoyloxy)-2-[(4-ethoxy-phenylcarbamoyloxy)-methyl]-2-methyl-pentane

Conditions

Conditions	Yield
anschliessend Behandeln mit p-Phenetidin;

: 1871-76-7
diphenylacetic acid chloride

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

A: 102472-07-1
diphenyl-acetic acid-(2-hydroxymethyl-2-methyl-pentyl ester)

B: 121376-21-4
2,2-bis-(diphenylacetoxy-methyl)-pentane

Conditions

Conditions	Yield
With pyridine; tetrachloromethane

...Expand

: 3350-78-5
3,3-Dimethylacryloyl chloride

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 2,2-bis-[(3-methyl-crotonoyloxy)-methyl]-pentane

Conditions

Conditions	Yield
With pyridine; diethyl ether

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 38136-29-7
4-methylvaleroyl chloride

: 111528-86-0
2,2-bis-(4-methyl-valeryloxymethyl)-pentane

Conditions

Conditions	Yield
With pyridine; diethyl ether

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 89796-29-2
1-bromo-2-bromomethyl-2-methyl-pentane

Conditions

Conditions	Yield
With phosphorus tribromide

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 97-61-0, 22160-39-0
2-Methylpentanoic acid

Conditions

Conditions	Yield
With potassium permanganate

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 15240-86-5
2-hydroxymethyl-2-methyl-valeric acid

Conditions

Conditions	Yield
With sodium hydroxide; potassium permanganate

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 118899-17-5
1-(4-methoxy-phenylcarbamoyloxy)-2-[(4-methoxy-phenylcarbamoyloxy)-methyl]-2-methyl-pentane

Conditions

Conditions	Yield
With COCl2 anschliessend Behandeln mit p-Anisidin;

: 78-26-2
2-methyl-2-propyl-1,3-propanediol

: 100-44-7
benzyl chloride

: 108239-67-4
3-benzyloxy-2-methyl-2-propyl-propan-1-ol

Conditions

Conditions	Yield
With sodium hydroxide

2-Methyl-2-propyl-1,3-propanediol Specification

The 2-Methyl-2-propyl-1,3-propanediol, with the CAS registry number 78-26-2,is also known as 2,2-Bis(hydroxymethyl)pentane. It belongs to the product categories of Chemical Synthesis;Organic Building Blocks;Oxygen Compounds. This chemical's molecular formula is C₇H₁₆O₂ and molecular weight is 132.20. Its EINECS number is 201-099-5.What's more,Its systematic name is 2-Methyl-2-propylpropane-1,3-diol.It is a Whgite Crystalline Solid which is intermediate in the synthesis of Carisoprodol.And it should be stored in the refrigerator.

Physical properties about 2-Methyl-2-propyl-1,3-propanediol are:
(1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.97; (6)ACD/BCF (pH 7.4): 1.9; (7)ACD/KOC (pH 5.5): 56.57; (8)ACD/KOC (pH 7.4): 56.57; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 37.514 cm³; (14)Molar Volume: 139.143 cm³; (15)Surface Tension: 35.3170013427734 dyne/cm; (16)Density: 0.95 g/cm³; (17)Flash Point: 100.53 °C; (18)Enthalpy of Vaporization: 54.717 kJ/mol; (19)Boiling Point: 233.999 °C at 760 mmHg; (20)Vapour Pressure: 0.00999999977648258 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:OCC(C)(CCC)CO;
(2)Std. InChI:InChI=1S/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3;
(3)Std. InChIKey:JVZZUPJFERSVRN-UHFFFAOYSA-N.

Safety Information of 2-Methyl-2-propyl-1,3-propanediol:
The 2-Methyl-2-propyl-1,3-propanediol is harmful if swallowed and irritating to the eyes.When you use it ,wear eye/face protection ,do not breathe dust,and avoid contact with skin and eyes.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Product Name

2-Methyl-2-propyl-1,3-propanediol

Synthetic route

2-Methyl-2-propyl-1,3-propanediol Specification

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