4-(4-Bromophenyl)butanoyl chloride

Base Information

• Chemical Name: 4-(4-Bromophenyl)butanoyl chloride
• CAS No.: 6628-03-1
• Molecular Formula: C10H10BrClO
• Molecular Weight: 261.546
• NSC Number: 60280
• DSSTox Substance ID: DTXSID80289316
• Wikidata: Q82026558
• Mol file: 6628-03-1.mol

Synonyms:4-(4-bromophenyl)butanoyl chloride;6628-03-1;NSC60280;SCHEMBL3866365;DTXSID80289316;QMAWCTRRPJNDBJ-UHFFFAOYSA-N;NSC-60280;4-(4-bromo-phenyl)-butyryl chloride;4-(4-bromophenyl)butyric acid chloride

Chemical Property of 4-(4-Bromophenyl)butanoyl chloride

Chemical Property:

• Vapor Pressure: 0.000292mmHg at 25°C
• Boiling Point: 321.8°Cat760mmHg
• Flash Point: 148.4°C
• PSA: 17.07000
• Density: 1.453g/cm³
• LogP: 3.53720
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 259.96036
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCC(=O)Cl)Br

Technology Process of 4-(4-Bromophenyl)butanoyl chloride

There total 4 articles about 4-(4-Bromophenyl)butanoyl chloride 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:

bromobenzene (108-86-1,52753-63-6) → 4-(4-bromophenyl)-butyryl chloride (6628-03-1)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminium chloride

2: amalgamated zinc; aqueous hydrochloric acid; toluene / weiteres Reagens: Essigsaeure

3: thionyl chloride

With hydrogenchloride; aluminium trichloride; thionyl chloride; amalgamated zinc; toluene;

DOI:10.1021/ja01268a051

Reference yield:

4-oxo-4-(4-bromophenyl)butanoic acid (6340-79-0) → 4-(4-bromophenyl)-butyryl chloride (6628-03-1)

Guidance literature:

Multi-step reaction with 2 steps

1: amalgamated zinc; aqueous hydrochloric acid; toluene / weiteres Reagens: Essigsaeure

2: thionyl chloride

With hydrogenchloride; thionyl chloride; amalgamated zinc; toluene;

DOI:10.1021/ja01268a051

Reference yield:

5-(4-bromophenyl)pentanoic acid (22647-95-6) → 4-(4-bromophenyl)-butyryl chloride (6628-03-1)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.5b00788

upstream raw materials:

bromobenzene

4-oxo-4-(4-bromophenyl)butanoic acid

5-(4-bromophenyl)pentanoic acid

Downstream raw materials:

2-[3-(4-bromo-phenyl)-propyl]-3-hydroxy-[1,4]naphthoquinone

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

N-(3-cyano-4-(isopropylsulfonyl)phenyl)-4-(4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)butanamide

N-(4-(tert-butylsulfonyl)-3-cyanophenyl)-4-(4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)butanamide

Refernces