2,3-Dimethyl-2-isopropylbutyryl chloride

Base Information

• Chemical Name: 2,3-Dimethyl-2-isopropylbutyryl chloride
• CAS No.: 51115-81-2
• Molecular Formula: C₉H₁₇ClO
• Molecular Weight: 176.686
• European Community (EC) Number: 256-988-0
• UNII: 4U3MGR53CE
• DSSTox Substance ID: DTXSID30199133
• Wikidata: Q83072031
• Mol file: 51115-81-2.mol

Synonyms:2,3-Dimethyl-2-isopropylbutyryl chloride;51115-81-2;4U3MGR53CE;EINECS 256-988-0;UNII-4U3MGR53CE;2,3-dimethyl-2-propan-2-ylbutanoyl chloride;SCHEMBL290599;DTXSID30199133;WMEBPQLEDFWBRX-UHFFFAOYSA-N;2,3-dimethyl-2-isopropylbutanoyl chloride;2-isopropyl-2,3-dimethylbutanoyl chloride;Butanoyl chloride, 2,3-dimethyl-2-(1-methylethyl)-;2,3-DIMETHYL-2-(1-METHYLETHYL)BUTANOYL CHLORIDE

Chemical Property of 2,3-Dimethyl-2-isopropylbutyryl chloride

Chemical Property:

• Vapor Pressure: 0.898mmHg at 25°C
• Boiling Point: 180.4°Cat760mmHg
• Flash Point: 47.6°C
• PSA: 17.07000
• Density: 0.947g/cm³
• LogP: 3.07010
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.0967929
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)(C(C)C)C(=O)Cl

Technology Process of 2,3-Dimethyl-2-isopropylbutyryl chloride

There total 2 articles about 2,3-Dimethyl-2-isopropylbutyryl 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-isopropyl-2,3-dimethylbutanoic acid (23119-04-2) → 2-isopropyl-2,3-dimethylbutanoyl chloride (51115-81-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; at 20 - 25 ℃; for 3h; Inert atmosphere;

Reference yield:

N,2,3-trimethyl-2-isopropylbutanamide (51115-67-4) → 2-isopropyl-2,3-dimethylbutanoyl chloride (51115-81-2)

Guidance literature:

N,2,3-trimethyl-2-isopropylbutanamide; With sulfuric acid; water; sodium nitrite;

With thionyl chloride;

upstream raw materials:

N,2,3-trimethyl-2-isopropylbutanamide

2-isopropyl-2,3-dimethylbutanoic acid

Refernces

• 1、 -. "Organic Compounds Having Cooling Properties". Page/Page column 6. . Retrieved 2012/04/23.