2,3-Dimethylbutanoyl chloride

Base Information

• Chemical Name: 2,3-Dimethylbutanoyl chloride
• CAS No.: 51760-90-8
• Molecular Formula: C6H11ClO
• Molecular Weight: 134.606
• Hs Code.: 2915900090
• European Community (EC) Number: 854-507-4
• DSSTox Substance ID: DTXSID10502121
• Mol file: 51760-90-8.mol

Synonyms:2,3-Dimethylbutanoyl chloride;51760-90-8;Butanoyl chloride, 2,3-dimethyl-;Chloro-bis-propyl Ether;SCHEMBL1409873;DTXSID10502121;2,3-DIMETHYL-BUTANOYLCHLORIDE;AKOS013351511;2,3-DIMETHYL-BUTANOYL CHLORIDE;EN300-367416

Chemical Property of 2,3-Dimethylbutanoyl chloride

Chemical Property:

• Vapor Pressure: 9.99mmHg at 25°C
• Refractive Index: 1.42
• Boiling Point: 129.8°C at 760 mmHg
• Flash Point: 27.7°C
• PSA: 17.07000
• Density: 0.983g/cm³
• LogP: 2.04390
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.0498427
• Heavy Atom Count: 8
• Complexity: 88.5

Purity/Quality:

99% ^*data from raw suppliers

2,3-DimethylbutanoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)C(=O)Cl
• Uses: 2,3-Dimethylbutanoyl Chloride is an intermediate used in the synthesis of 3-Chloro-2-methylbutane (Contains CCl4) (C990505), which is a generic chemical reagent used in the synthesis of alkylthioalkylmalonic esters as antimicrobial agents for the inhibition of microorganisms.

Technology Process of 2,3-Dimethylbutanoyl chloride

There total 9 articles about 2,3-Dimethylbutanoyl 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: 95.0%

2,3-dimethylbutyric acid (14287-61-7) → 2,3-dimethylbutyryl chloride (51760-90-8)

Guidance literature:

With thionyl chloride;

DOI:10.1002/hlca.19860690217

Reference yield:

thionyl chloride (7719-09-7) + 2,3-dimethylbutyric acid (14287-61-7) → 2,3-dimethylbutyryl chloride (51760-90-8)

Guidance literature:

In dichloromethane; at 25 ℃; for 12h;

DOI:10.1021/jm901229s

Reference yield:

3-methylbutyric acid (503-74-2) → 2,3-dimethylbutyryl chloride (51760-90-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 81.9 percent / BuLi; diisopropylamine; hexamethylphosphoramide / tetrahydrofuran

2: SOCl₂

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; thionyl chloride; diisopropylamine; In tetrahydrofuran; 1: Methylation / 2: Substitution;

DOI:10.1007/BF02266968

upstream raw materials:

3-methylvaleric acid

2,3-dimethylbutyric acid

3-methylbutyric acid

2,3-dimethyl-butanoic acid, ethyl ester

Downstream raw materials:

2,3-dimethyl-N-phenylbutanamide

2,3-dimethylbutanol

2,6-bis(1,1-dimethylethyl)-4-methylphenyl 2,3-dimethylbutanoate

N-(2,6-diisopropylphenyl)-2,3-dimethylbutanamide