2-(Bromomethyl)-2-methylpropane-1,3-diol

Base Information

• Chemical Name: 2-(Bromomethyl)-2-methylpropane-1,3-diol
• CAS No.: 2210-03-9
• Molecular Formula: C5H11 Br O2
• Molecular Weight: 183.045
• Hs Code.: 2905590090
• European Community (EC) Number: 218-636-4
• DSSTox Substance ID: DTXSID10176609
• Nikkaji Number: J299.164K
• Wikidata: Q83046916
• Mol file: 2210-03-9.mol

Synonyms:2-(Bromomethyl)-2-methylpropane-1,3-diol;2210-03-9;2-(bromomethyl)-2-methyl-1,3-propanediol;EINECS 218-636-4;1,3-Propanediol, 2-(bromomethyl)-2-methyl-;SCHEMBL3687384;DTXSID10176609;MFCD20621433;2-bromomethyl-2-methyl-1,3-propanediol;EN300-218116;W-109760

Chemical Property of 2-(Bromomethyl)-2-methylpropane-1,3-diol

Chemical Property:

• Vapor Pressure: 0.000252mmHg at 25°C
• Boiling Point: 288.9°C at 760 mmHg
• Flash Point: 128.5°C
• PSA: 40.46000
• Density: 1.534g/cm³
• LogP: 0.37220
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 181.99424
• Heavy Atom Count: 8
• Complexity: 61.4

Purity/Quality:

99% ^*data from raw suppliers

2-(Bromomethyl)-2-methylpropane-1,3-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)(CO)CBr

Technology Process of 2-(Bromomethyl)-2-methylpropane-1,3-diol

There total 4 articles about 2-(Bromomethyl)-2-methylpropane-1,3-diol 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: 96.1%

3-hydroxymethyl-3-methyloxethane (3143-02-0) → 2-(bromomethyl)-2-methylpropane-1,3-diol (2210-03-9)

Guidance literature:

With hydrogen bromide; In tetrahydrofuran; water; at 20 ℃; for 17.5h; Inert atmosphere; Cooling with ice;

Reference yield: 96.0%

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + 3-hydroxymethyl-3-methyloxethane (3143-02-0) + hydrogen bromide (10035-10-6,12258-64-9) → 2-(bromomethyl)-2-methylpropane-1,3-diol (2210-03-9)

Guidance literature:

In water; for 3.5h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1039/c5dt04870b

Reference yield:

2-(hydroxymethyl)-2-methylpropane-1,3-diol (77-85-0) → 2-(bromomethyl)-2-methylpropane-1,3-diol (2210-03-9)

Guidance literature:

With hydrogen bromide; at 100 ℃;

upstream raw materials:

2-(hydroxymethyl)-2-methylpropane-1,3-diol

3-hydroxymethyl-3-methyloxethane

1,4-dioxane

hydrogen bromide

Downstream raw materials:

5-bromomethyl-5-methyl-2,2-diphenyl-[1,3]dioxane

5-bromomethyl-5-methyl-2,2-di-p-tolyl-[1,3]dioxane

5-bromomethyl-2-cyclohexyl-5-methyl-2-phenyl-[1,3]dioxane

2,2-dibenzyl-5-bromomethyl-5-methyl-[1,3]dioxane

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