2-Bromohexanoyl chloride

Base Information

• Chemical Name: 2-Bromohexanoyl chloride
• CAS No.: 42768-46-7
• Molecular Formula: C6H10 Br Cl O
• Molecular Weight: 213.502
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID80472180
• Nikkaji Number: J578.930C
• Mol file: 42768-46-7.mol

Synonyms:2-bromohexanoyl chloride;42768-46-7;2-Bromohexanoylchloride;2-bromanylhexanoyl chloride;2-bromocaproyl chloride;2-bromo-hexanoyl chloride;SCHEMBL306336;DTXSID80472180;KZOBODYIXDMSCF-UHFFFAOYSA-N;AKOS022468160;FT-0654100;A826004;F1913-0464

Chemical Property of 2-Bromohexanoyl chloride

Chemical Property:

• Boiling Point: 102-105 °C(Press: 30 Torr)
• PSA: 17.07000
• Density: 1.426±0.06 g/cm3(Predicted)
• LogP: 2.70550
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 211.96036
• Heavy Atom Count: 9
• Complexity: 95.1

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromo hexyanoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=O)Cl)Br

Technology Process of 2-Bromohexanoyl chloride

There total 6 articles about 2-Bromohexanoyl 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: 92.0%

Hexanoyl chloride (142-61-0) → 2-bromohexanoyl chloride (42768-46-7)

Guidance literature:

Hexanoyl chloride; With thionyl chloride; for 0.5h; Heating;

With bromine; Heating;

DOI:10.1016/S0040-4020(01)00092-8

Reference yield: 75.0%

hexanoic acid (142-62-1) → 2-bromohexanoyl chloride (42768-46-7)

Guidance literature:

With thionyl chloride; bromine; iodine; 1) 3 h, 100 deg C; 2) 2 h, 100 deg C;

DOI:10.1007/BF00761981

Reference yield:

2-bromohexanoic acid (616-05-7) → 2-bromohexanoyl chloride (42768-46-7)

Guidance literature:

With thionyl chloride;

DOI:10.1016/j.bmc.2004.08.049

upstream raw materials:

2-bromohexanoic acid

n-octanoic acid chloride

hexanoic acid

Hexanoyl chloride

Downstream raw materials:

dronedarone hydrochloride

Refernces

• 1、 Jin, Yan,Ding, Yin-hao,Dong, Jing-jing,Wei, Yan,Hao, Shuang-hong,Feng, Bai-cheng. "Design, synthesis and agricultural evaluation of derivatives of N-Acyl-N-(m-fluoro-benzyl)-6-amino-coumarin". supporting information. p. 798 - 804. Retrieved 2020/08/19.
• 2、 Li, Bowen,Li, Tiejun,Aliyu, Muinat A.,Li, Zhen Hua,Tang, Wenjun. "Enantioselective Palladium-Catalyzed Cross-Coupling of α-Bromo Carboxamides and Aryl Boronic Acids". supporting information. p. 11355 - 11359. Retrieved 2019/07/12.