Allyl 2-chloropropionate

Base Information

• Chemical Name: Allyl 2-chloropropionate
• CAS No.: 55360-11-7
• Molecular Formula: C6H9 Cl O2
• Molecular Weight: 148.589
• Hs Code.: 2915900090
• European Community (EC) Number: 259-612-3
• DSSTox Substance ID: DTXSID00970698
• Nikkaji Number: J266.981A
• Mol file: 55360-11-7.mol

Synonyms:Allyl 2-chloropropionate;Allyl alpha-chloropropionate;55360-11-7;EINECS 259-612-3;2-Propenyl 2-chloropropanoate;2-Propynyl 2-chloropropionate;Propanoic acid, 2-chloro-, 2-propenyl ester;AI3-34322;Allyl 2-chloropropanoate;Allyl 2-chloropropanoate #;SCHEMBL464886;DTXSID00970698;2-Chloropropanoic acid allyl ester;PROP-2-EN-1-YL 2-CHLOROPROPANOATE

Chemical Property of Allyl 2-chloropropionate

Chemical Property:

• Vapor Pressure: 1.43mmHg at 25°C
• Boiling Point: 170.9°C at 760 mmHg
• Flash Point: 64.6°C
• PSA: 26.30000
• Density: 1.077g/cm³
• LogP: 1.34290
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 148.0291072
• Heavy Atom Count: 9
• Complexity: 112

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(=O)OCC=C)Cl

Technology Process of Allyl 2-chloropropionate

There total 3 articles about Allyl 2-chloropropionate 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: 92.1%

2-chloropropionyl chloride (7623-09-8) + allyl alcohol (107-18-6) → allyl α-chloropropionate (55360-11-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 26h;

DOI:10.1039/c4ra02624a

Reference yield: 75.0%

allyl alcohol (107-18-6) + (R,S)-2-chloropropionic acid (598-78-7) → allyl α-chloropropionate (55360-11-7)

Guidance literature:

With sulfuric acid;

DOI:10.1134/S1070427208100182

Reference yield:

allyl 2,2-dichloropropionate (100114-38-3) → allyl α-chloropropionate (55360-11-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 4h; Heating;

DOI:10.1007/BF02495209

upstream raw materials:

allyl 2,2-dichloropropionate

2-chloropropionyl chloride

allyl alcohol

(R,S)-2-chloropropionic acid

Downstream raw materials:

2-[4-(2-Chloro-4-trifluoromethyl-phenoxy)-phenoxy]-propionic acid allyl ester

2-[4-(4-Trifluoromethyl-phenoxy)-phenoxy]-propionic acid allyl ester

Refernces

• 1、 Satoh, Kotaro,Mizutani, Masato,Kamigaito, Masami. "Metal-catalyzed radical polyaddition as a novel polymer synthetic route". . p. 1260 - 1262. Retrieved 2007.
• 2、 Terent'ev,Vasil'eva,Kuz'mina,Mysov,Belokon. "Cyclization of allyl α-halocarboxylates in the presence of metallocomplex initiators". . p. 764 - 766. Retrieved 2007/10/03.