2-Chloro-2-methylpropanoyl chloride

Base Information

• Chemical Name: 2-Chloro-2-methylpropanoyl chloride
• CAS No.: 13222-26-9
• Molecular Formula: C4H6 Cl2 O
• Molecular Weight: 140.997
• Hs Code.: 2915900090
• European Community (EC) Number: 687-783-8
• DSSTox Substance ID: DTXSID10459343
• Nikkaji Number: J554.981G
• Mol file: 13222-26-9.mol

Synonyms:2-chloro-2-methylpropanoyl chloride;13222-26-9;2-CHLOROISOBUTYRYL CHLORIDE;2-chloro-2-methyl-propionyl chloride;2-chloro-2-methylpropionyl chloride;MFCD00082188;2-chloro-2-methyl-propanoyl Chloride;Propanoyl chloride, 2-chloro-2-methyl-;SCHEMBL94994;DTXSID10459343;DTZKVZKYSZUBAG-UHFFFAOYSA-N;AKOS006271563;ES-2005;s11011;SY247727;FT-0691606;EC 687-783-8;EN300-112591

Chemical Property of 2-Chloro-2-methylpropanoyl chloride

Chemical Property:

• Refractive Index: 1.4369 (estimate)
• Boiling Point: 189.51°C (rough estimate)
• PSA: 17.07000
• Density: 1.1802
• LogP: 1.76920
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 139.9795702
• Heavy Atom Count: 7
• Complexity: 87.7

Purity/Quality:

99.9% ^*data from raw suppliers

2-chloro-2-methylpropanoylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)Cl)Cl

Technology Process of 2-Chloro-2-methylpropanoyl chloride

There total 16 articles about 2-Chloro-2-methylpropanoyl 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: 98.1%

isobutyryl chloride (79-30-1) → 2-chloroisobutyryl chloride (13222-26-9)

Guidance literature:

With chlorine; at 60 ℃; for 1.5h; Temperature;

Reference yield: 83.0%

2-methyllactic acid (594-61-6) → 2-chloroisobutyryl chloride (13222-26-9)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 0 - 60 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201300485

Reference yield: 58.8%

1,1,1-trichloro-2-methyl-2-propanol (57-15-8) → 2-chloroisobutyryl chloride (13222-26-9)

Guidance literature:

With sulfuric acid; In octane; at 50 ℃; for 8.66667h; under 20 Torr;

upstream raw materials:

2-methyllactic acid

2-chloro-2-methylpropanoic acid

isobutyryl chloride

1,1,1-trichloro-2-methyl-2-propanol

Downstream raw materials:

N,N-Dibenzyl-2-chloro-2-methyl-propionamide

α-chloroisobutyrophenone

3-chloro-3-methyl-1-phenyl-2-butanone

6-(1-chloro-1-methyl-ethyl)-N₄-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine-2,4-diamine

Refernces

• 1、 Slavin, Stacy,De Cuendias, Anne,Ladmiral,Haddleton, David M.. "Biotin functionalized poly(sulfonic acid)s for bioconjugation: In situ binding monitoring by QCM-D". . p. 1163 - 1173. Retrieved 2011.
• 2、 -. "Synthetic method of free-radical photoinitiator". Paragraph 0043; 0045; 0046; 0047; 0056; 0058; 0067; 0069. . Retrieved 2018/07/30.