3-(4-Bromophenyl)-3-methylbutanoic acid

Base Information

• Chemical Name: 3-(4-Bromophenyl)-3-methylbutanoic acid
• CAS No.: 67159-82-4
• Molecular Formula: C₁₁H₁₃BrO₂
• Molecular Weight: 257.127
• Hs Code.: 2916399090
• European Community (EC) Number: 891-905-7
• Mol file: 67159-82-4.mol

Synonyms:3-(4-Bromophenyl)-3-methylbutanoic acid;67159-82-4;3-(4-Bromophenyl)-3-methylbutanoicacid;3-methyl-3-(4-bromophenyl)-butanoic acid;SCHEMBL16056956;AMY2032;OWMVMLKZQONNKY-UHFFFAOYSA-N;AKOS017565896;KS-8204;CS-0454766

Chemical Property of 3-(4-Bromophenyl)-3-methylbutanoic acid

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 256.00989
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Bromophenyl)-3-methylbutanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CC(=O)O)C1=CC=C(C=C1)Br

Technology Process of 3-(4-Bromophenyl)-3-methylbutanoic acid

There total 5 articles about 3-(4-Bromophenyl)-3-methylbutanoic acid 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: 50.0%

bromobenzene (108-86-1,52753-63-6) + 3-Methylbutenoic acid (541-47-9) → 3-methyl-3-(4-bromophenyl)-butanoic acid (67159-82-4)

Guidance literature:

With aluminum (III) chloride; ammonium chloride; In dichloromethane; at -10 - -5 ℃; for 1h;

Reference yield:

bromobenzene (108-86-1,52753-63-6) + 3-Methylbutenoic acid (541-47-9) → 3-methyl-3-(4-bromophenyl)-butanoic acid (67159-82-4) + 3-methyl-3-(3-bromophenyl)-butanoic acid (42288-04-0)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 1.03333h;

Reference yield:

→ 3-methyl-3-(4-bromophenyl)-butanoic acid (67159-82-4)

Guidance literature:

With alkaline aqueous sodium hypochlorite solution;

DOI:10.1021/ja01181a114

upstream raw materials:

4-(4-bromo-phenyl)-4-methyl-pentan-2-one

bromobenzene

3-Methylbutenoic acid

Downstream raw materials:

1,1-Diphenyl-3-(p-bromphenyl)-3-methyl-1-butanol

1,1-Diphenyl-3-(p-cyanophenyl)-3-methyl-1-buten

1,1-Diphenyl-2-(p-hydroxyphenyl)-3,3-dimethylcyclopropan

1,1-Diphenyl-2-(p-bromphenyl)-3,3-dimethylcyclopropan