4-(3-Bromophenyl)butanoic acid

Base Information

• Chemical Name: 4-(3-Bromophenyl)butanoic acid
• CAS No.: 899350-32-4
• Molecular Formula: C10H11 Br O2
• Molecular Weight: 243.1
• European Community (EC) Number: 888-864-2
• DSSTox Substance ID: DTXSID80592857
• Wikidata: Q82487196
• Mol file: 899350-32-4.mol

Synonyms:4-(3-bromophenyl)butanoic acid;899350-32-4;4-(3-BROMO-PHENYL)-BUTYRIC ACID;3-Bromo-benzenebutanoic Acid;BENZENEBUTANOIC ACID, 3-BROMO-;3-bromoBenzenebutanoic acid;MFCD06810495;4-(3-Bromophenyl)butanoicacid;4-(3-bromophenyl)butyric acid;SCHEMBL1445967;DTXSID80592857;MJSLVHKDBWJPCL-UHFFFAOYSA-N;AKOS005265050;CS-W021989;DS-2811;SB39714;AC-25647;SY111085;DB-078551;EN300-103240;F13630;A860980;Z1097106911

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

Chemical Property:

• PSA: 37.30000
• LogP: 2.85640
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Methanol (Slightly)
• 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

3-Bromo-benzenebutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)CCCC(=O)O
• Uses: 3-Bromo-benzenebutanoic Acid is a reactant used in the preparation of pyrrolo-(di)-benzazocinones via an intramolecular cyclization of N-acyliminium ions formed from 4,4-diethyoxybutyl amides (Erratum)

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

There total 10 articles about 4-(3-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: 93.0%

→ 4-(3-bromophenyl)-butyric acid (899350-32-4)

Guidance literature:

Reference yield:

4-(3-bromophenyl)-4-oxobutanenitrile (884504-63-6) → 4-(3-bromophenyl)-butyric acid (899350-32-4)

Guidance literature:

With water; hydrazine hydrate; potassium hydroxide; In ethylene glycol; at 195 ℃;

Reference yield:

C15H19BrO4 → 4-(3-bromophenyl)-butyric acid (899350-32-4)

Guidance literature:

Multi-step reaction with 2 steps

1: water; potassium hydroxide / ethanol / 6 h / Reflux

2: 0.5 h / 170 °C

With water; potassium hydroxide; In ethanol;

DOI:10.1016/j.ejmech.2014.08.031

upstream raw materials:

4-(3-bromophenyl)-4-oxo-butyric acid

m-bromobenzoic aldehyde

4-(3-bromophenyl)-4-oxobutanenitrile

2-(3-bromophenyl)ethan-1-ol

Downstream raw materials:

ethyl 4-(3-bromophenyl)butanoate

7-bromo-3,4-dihydro-2H-naphthalen-1-one

3-(3-(3-(5-aminopyridin-2-yl)phenyl)propyl)-1-(4-(tert-butyl)benzyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one

N-(6-(3-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenyl)pyridin-3-yl)benzenesulfonamide