2-bromopentanoyl Chloride

Base Information

• Chemical Name: 2-bromopentanoyl Chloride
• CAS No.: 42768-45-6
• Molecular Formula: C5H8BrClO
• Molecular Weight: 199.475
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID80457937
• Nikkaji Number: J578.840D
• Mol file: 42768-45-6.mol

Synonyms:2-bromopentanoyl Chloride;42768-45-6;2-BROMOVALERYL CHLORIDE;2-Bromovalerylchloride;2-bromopentanoylchloride;bromopentanoic acid chloride;4,4-DIFLUOROBENZOIN;Pentanoyl chloride, 2-bromo-;SCHEMBL4968295;alpha-Bromovaleric acid chloride;DTXSID80457937;PMUTYIACIXXOGC-UHFFFAOYSA-N;AKOS006271984;FT-0691581

Chemical Property of 2-bromopentanoyl Chloride

Chemical Property:

• Boiling Point: 179.384 °C at 760 mmHg
• Flash Point: 62.29 °C
• PSA: 17.07000
• Density: 1.498 g/cm³
• LogP: 2.31540
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 197.94471
• Heavy Atom Count: 8
• Complexity: 84.5

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromovalerylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(C(=O)Cl)Br

Technology Process of 2-bromopentanoyl Chloride

There total 4 articles about 2-bromopentanoyl 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:

2-Bromovaleric acid (584-93-0) → 2-bromopentanoyl chloride (42768-45-6)

Guidance literature:

With thionyl chloride;

Reference yield:

valeric acid (109-52-4) → 2-bromopentanoyl chloride (42768-45-6)

Guidance literature:

With thionyl chloride; bromine; phosphorus tribromide; Multistep reaction;

DOI:10.1016/S0040-4039(00)81858-4

Reference yield:

2-aminopentanoic acid (760-78-1,498-18-0) → 2-bromopentanoyl chloride (42768-45-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen bromide; sodium nitrite / water

2: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 2 h / 0 - 20 °C

With oxalyl dichloride; hydrogen bromide; sodium nitrite; In dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1021/ja510603w

upstream raw materials:

2-Bromovaleric acid

n-valeryl chloride

valeric acid

2-aminopentanoic acid

Downstream raw materials:

2-phenyl-5-propyloxazol-4(5H)-one

2-bromo-valeric acid-(2,4,6-trimethyl-anilide)

(+/-)-2-bromo-N-(4-bromophenyl)pentanamide

(R)-(-)-N-(4-bromophenyl)-2-[5-(3-methoxybenzyl)-3-methyl-6-oxopyridazin-1(6H)-yl]pentanamide

Refernces

• 1、 -. "Synthetic method of 2-substituted-1-(2-thiophene)-1-pentanone". Paragraph 0012. . Retrieved 2018/03/28.
• 2、 Bera, Kalisankar,Satam, Nishikant S.,Namboothiri, Irishi N. N.. "Enantioselective synthesis of quaternary α-amino acids via l -tert-leucine-derived squaramide-catalyzed conjugate addition of α-nitrocarboxylates to enones". . p. 5670 - 5680. Retrieved 2016/07/14.