3-Bromo-2,2-dimethyl-1-propanol

Base Information

• Chemical Name: 3-Bromo-2,2-dimethyl-1-propanol
• CAS No.: 40894-00-6
• Molecular Formula: C5H11BrO
• Molecular Weight: 167.046
• Hs Code.: 2905590090
• Mol file: 40894-00-6.mol

Synonyms:2,2-Dimethyl-3-bromo-1-propanol;3-Bromo-2,2-dimethylpropanol;3-Bromoneopentylalcohol;NSC 127921;

Chemical Property of 3-Bromo-2,2-dimethyl-1-propanol

Chemical Property:

• Vapor Pressure: 0.153mmHg at 25°C
• Refractive Index: n20/D 1.479(lit.)
• Boiling Point: 189.7 °C at 760 mmHg
• PKA: 14.74±0.10(Predicted)
• Flash Point: 75.6 °C
• PSA: 20.23000
• Density: 1.371 g/cm³
• LogP: 1.39980

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-2,2-dimethyl-1-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3-Bromo-2,2-dimethyl-1-propanol was used in the synthesis of 3-bromo-2,2-dimethylpropanal by undergoing oxidation with pyridinium chlorochromate, mixed with silica, in dichloromethane.

Technology Process of 3-Bromo-2,2-dimethyl-1-propanol

There total 12 articles about 3-Bromo-2,2-dimethyl-1-propanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

2,2-Dimethyl-1,3-propanediol (126-30-7) → 3-bromo-2,2-dimethyl-propan-1-ol (40894-00-6)

Guidance literature:

With pyridine; bromine; triphenylphosphine; In chloroform; for 12h; Ambient temperature;

Reference yield:

3,3-dimethyloxetane (6921-35-3) + triphenylphosphine (603-35-0) → 1,3-dibromo-2,2-dimethyl-propane (5434-27-5) + 3-bromo-2,2-dimethyl-propan-1-ol (40894-00-6) + (3-bromo-2,2-dimethylpropoxy)triphenylphosphonium cation (1414522-14-7)

Guidance literature:

With carbon tetrabromide; In dichloromethane-d2; at 20 ℃; for 96h;

DOI:10.1021/jo302360t

Reference yield:

tris-dimethylamino-(3-hydroxy-2,2-dimethyl-propoxy)-phosphonium; perchlorate → 3-bromo-2,2-dimethyl-propan-1-ol (40894-00-6)

Guidance literature:

With butyltriethylammonium hydrogen sulfate; In N,N-dimethyl-formamide; at 100 ℃;

upstream raw materials:

5.5-dimethyl-1,3,2-dioxathiane-2-oxide

diethyl ether

acetic acid (3-bromo-2,2-dimethyl-1-propyl)ester

2,2-Dimethyl-1,3-propanediol

Downstream raw materials:

2,2-dimethyl-propanol-1

3,3-dimethyloxetane

formaldehyd

formic acid

Refernces

• 1、 -. "Tyrosine kinase inhibitors". Page/Page column 251. . Retrieved 2014/03/26.
• 2、 Billing, Peter,Brinker, Udo H.. "Mild one-step synthesis of dibromo compounds from cyclic ethers". . p. 11227 - 11231. Retrieved 2013/02/23.