2-Chloro-2-methylbutanoyl chloride

Base Information

• Chemical Name: 2-Chloro-2-methylbutanoyl chloride
• CAS No.: 62721-35-1
• Molecular Formula: C5H8Cl2O
• Molecular Weight: 155.02200
• DSSTox Substance ID: DTXSID00601177
• Mol file: 62721-35-1.mol

Synonyms:2-Chloro-2-methylbutanoyl chloride;62721-35-1;SCHEMBL9186887;DTXSID00601177

Chemical Property of 2-Chloro-2-methylbutanoyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 2.15930
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 153.9952203
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)(C(=O)Cl)Cl

Technology Process of 2-Chloro-2-methylbutanoyl chloride

There total 2 articles about 2-Chloro-2-methylbutanoyl 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: 30.0%

2-methylenebutyric acid (3586-58-1,62607-09-4) → 2-ethylacryloyl chloride (4390-96-9) + 2-chloro-2-methylbutyryl chloride (62721-35-1)

Guidance literature:

DOI:10.1080/00304940509354885

Reference yield:

iso-butyl chloroformate (5856-79-1,57526-28-0) → 2-chloro-2-methylbutyryl chloride (62721-35-1) + 2-methyl-4-chlorobutyric acid chloride (51708-72-6) + 2-chloromethyl-butyryl chloride (23228-10-6) + 3-Chloro-2-methyl-butyryl chloride (90631-67-7) + 3-Chloro-2-methyl-butyryl chloride (90631-67-7)

Guidance literature:

With chlorine; In neat (no solvent); Product distribution; Ambient temperature; liquid phase chlorination of the aliphatic C₅-carboxylic acids and their chlorides, methyl esters and chloromethyl esters, relative reactivity of each hydrogen atoms;

Reference yield:

2-chloro-2-methylbutyryl chloride (62721-35-1) + 3-(3,4-dichlorophenyl)-1-hydroxy-1-methylurea (28267-54-1) → C13H15Cl3N2O3 (23695-33-2)

Guidance literature:

With triethylamine;

upstream raw materials:

iso-butyl chloroformate

2-methylenebutyric acid

Downstream raw materials:

C₁₃H₁₅Cl₃N₂O₃