4-Methylvaleryl chloride

Base Information

• Chemical Name: 4-Methylvaleryl chloride
• CAS No.: 38136-29-7
• Molecular Formula: C6H11ClO
• Molecular Weight: 134.606
• Hs Code.: 2915900090
• European Community (EC) Number: 253-801-4
• DSSTox Substance ID: DTXSID0068072
• Nikkaji Number: J294.601G
• Mol file: 38136-29-7.mol

Synonyms:4-Methylvaleryl chloride;38136-29-7;4-methylpentanoyl chloride;4-Methylvaleroyl Chloride;Isocaproyl chloride;Pentanoyl chloride, 4-methyl-;EINECS 253-801-4;4-methyl valeroyl chloride;4-methyl-pentanoyl chloride;gamma-methylvaleroyl chloride;SCHEMBL292181;DTXSID0068072;4-methyl pentanoic acid chloride;AMY33518;MFCD00018814;AKOS009217849;4-Methylpentanoyl chloride, AldrichCPR;BS-23268;LS-192266;FT-0639435;M2287;EN300-69079;D91586;J-515801

Chemical Property of 4-Methylvaleryl chloride

Chemical Property:

• Vapor Pressure: 6.15mmHg at 25°C
• Refractive Index: 1.422
• Boiling Point: 140.4 °C at 760 mmHg
• Flash Point: 41.1 °C
• PSA: 17.07000
• Density: 0.986 g/cm³
• LogP: 2.18800
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 134.0498427
• Heavy Atom Count: 8
• Complexity: 78.6

Purity/Quality:

98% ^*data from raw suppliers

4-MethylpentanoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC(=O)Cl

Technology Process of 4-Methylvaleryl chloride

There total 5 articles about 4-Methylvaleryl 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%

4-Methylpentanoic acid (646-07-1) → 4-methylvaleroyl chloride (38136-29-7)

Guidance literature:

With thionyl chloride; In DMF (N,N-dimethyl-formamide); hexnes; at 25 - 75 ℃; for 2.41667h; Industry scale;

Reference yield:

oxalyl dichloride (79-37-8) + 4-Methylpentanoic acid (646-07-1) → 4-methylvaleroyl chloride (38136-29-7)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

4-methyl-pent-2-enoic acid (10321-71-8) → 4-methylvaleroyl chloride (38136-29-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney-Ni

2: SOCl₂

With thionyl chloride; hydrogen; nickel;

upstream raw materials:

4-Methylpentanoic acid

4-methyl-pent-2-enoic acid

oxalyl dichloride

thionyl chloride

Downstream raw materials:

4-methyl-valeric acid-[4-(4-nitro-phenylsulfanyl)-anilide]

17β-(4-methyl-valeryloxy)-androst-4-en-3-one

3-acetylamino-2,4,6-triiodo-5-(4-methyl-valerylamino)-benzoic acid

1-(4-heptyl-2-hydroxy-5-methoxy-phenyl)-4-methyl-pentan-1-one

Refernces

• 1、 Christen,Roberts,Phillipson,Evans. "Alkaloids of Erythroxylum monogynum root-bark". . p. 1053 - 1056. Retrieved 1995.
• 2、 Hu, Qu-Ping,Cheng, Jing,Wang, Ying,Shi, Jie,Wang, Bi-Qin,Hu, Ping,Zhao, Ke-Qing,Pan, Fei. "Remote Regioselective Radical C-H Functionalization of Unactivated C-H Bonds in Amides: The Synthesis of gem-Difluoroalkenes". supporting information. p. 4457 - 4462. Retrieved 2021/05/26.
• 3、 Wei, Dian,Liu, Tu-Ming,Zhou, Bo,Han, Bing. "Decarboxylative Borylation of mCPBA-Activated Aliphatic Acids". supporting information. p. 234 - 238. Retrieved 2020/01/02.