1-Bromo-3-methylbutan-2-ol

Base Information

• Chemical Name: 1-Bromo-3-methylbutan-2-ol
• CAS No.: 1438-12-6
• Molecular Formula: C₅H₁₁BrO
• Molecular Weight: 167.046
• European Community (EC) Number: 852-341-7
• Mol file: 1438-12-6.mol

Synonyms:1-bromo-3-methylbutan-2-ol;1-Bromo-3-methyl-2-butanol;1438-12-6;SCHEMBL6403248;BAA43812;EN300-301399

Chemical Property of 1-Bromo-3-methylbutan-2-ol

Chemical Property:

• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 165.99933
• Heavy Atom Count: 7
• Complexity: 45.3

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-3-methyl-2-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(CBr)O
• Uses: 1-Bromo-3-methyl-2-butanol, can be used for preparation and polymerization of racemic isopropylthiirane.

Technology Process of 1-Bromo-3-methylbutan-2-ol

There total 4 articles about 1-Bromo-3-methylbutan-2-ol 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:

1-bromo-3-methyl-2-butanone (19967-55-6) → (S)-1-Bromo-3-methyl-butan-2-ol (1438-12-6,95912-78-0) + (R)-1-Bromo-3-methyl-butan-2-ol (95912-78-0)

Guidance literature:

With 3-pinanyl-9-borabicyclo[3.3.1]nonane; at 25 ℃; for 336h; Yield given. Yields of byproduct given;

DOI:10.1021/jo00158a046

Reference yield:

3-Methyl-1-butene (563-45-1) → 1-bromo-3-methyl-2-butanol (1438-12-6)

Guidance literature:

With N-Bromosuccinimide;

DOI:10.1021/jo01013a046

Reference yield:

2-methyl-but-2-ene (513-35-9) → 1-bromo-3-methyl-2-butanol (1438-12-6)

Guidance literature:

With N-Bromosuccinimide; dimethyl sulfoxide;

DOI:10.1039/j29710000085

upstream raw materials:

2-methyl-but-2-ene

3-Methyl-1-butene

1-bromo-3-methyl-2-butanone

Downstream raw materials:

(S)-Fluoro-phenyl-acetic acid (S)-1-bromomethyl-2-methyl-propyl ester

(S)-Fluoro-phenyl-acetic acid (R)-1-bromomethyl-2-methyl-propyl ester

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