4-(2-Bromophenyl)butanoic acid

Base Information

• Chemical Name: 4-(2-Bromophenyl)butanoic acid
• CAS No.: 90841-47-7
• Molecular Formula: C10H11 Br O2
• Molecular Weight: 243.1
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70537055
• Wikidata: Q72451495
• Mol file: 90841-47-7.mol

Synonyms:4-(2-bromophenyl)butanoic acid;90841-47-7;4-(2-bromo-phenyl)-butyric acid;Benzenebutanoicacid, 2-bromo-;Benzenebutanoic acid, 2-bromo-;2-Bromobenzenebutanoic acid;4-(2-bromophenyl)butanoicacid;SCHEMBL4062337;4-(o-bromophenyl) butyric acid;4-(2-bromophenyl)-butyric acid;4-(o- bromophenyl) butyric acid;DTXSID70537055;GUSZDDKXBDHOLW-UHFFFAOYSA-N;MFCD06810496;AKOS012475213;SB39802;AM807649;AS-31235;CS-0222506;EN300-111416;A843655;Z1097106913

Chemical Property of 4-(2-Bromophenyl)butanoic acid

Chemical Property:

• Melting Point: 88-89℃
• Boiling Point: 346℃
• Flash Point: 163℃
• PSA: 37.30000
• Density: 1.463
• LogP: 2.85640
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Bromo-phenyl)-butyricacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2-Bromophenyl)butanoic acid

There total 17 articles about 4-(2-Bromophenyl)butanoic 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: 95.0%

2-(2-(o-bromophenyl)ethyl)-malonic acid (92013-29-1) → 4-(2-bromophenyl)butanoic acid (90841-47-7)

Guidance literature:

at 170 ℃;

DOI:10.1021/jo00196a024

Reference yield: 89.0%

4-(2-bromophenyl)butyraldehyde (123206-84-8) → 4-(2-bromophenyl)butanoic acid (90841-47-7)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In water; tert-butyl alcohol; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2008.10.098

Reference yield: 66.0%

4-(2-Bromophenyl)-1-butanol (123206-83-7) → 4-(2-bromophenyl)butanoic acid (90841-47-7)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In acetone; at 0 ℃; for 4h;

DOI:10.1016/0040-4020(96)00266-9

upstream raw materials:

1-bromo-2-(3-bromopropyl)benzene

sodium cyanide

2-(2-(o-bromophenyl)ethyl)-malonic acid

4-(2-Bromophenyl)-1-butanol

Downstream raw materials:

5-ethyltetralin

5-n-butyltetralin

bromo-5 dihydro-3,4 naphthalene

5-bromotetralol