3-Butenoic acid, 4-chloro-3,4-difluoro-2,2-dimethyl-, ethyl ester, (Z)-

Base Information

• Chemical Name: 3-Butenoic acid, 4-chloro-3,4-difluoro-2,2-dimethyl-, ethyl ester, (Z)-
• CAS No.: 144194-06-9
• Molecular Formula: C₈H₁₁ClF₂O₂
• Molecular Weight: 212.624
• Nikkaji Number: J507.553J
• Mol file: 144194-06-9.mol

Synonyms:3-Butenoic acid, 4-chloro-3,4-difluoro-2,2-dimethyl-, ethyl ester, (Z)-;144194-06-9;Ethyl (Z)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate;(Z)-4-Chloro-3,4-difluoro-2,2-dimethyl-3-butenoic acid ethyl ester

Chemical Property of 3-Butenoic acid, 4-chloro-3,4-difluoro-2,2-dimethyl-, ethyl ester, (Z)-

Chemical Property:

• Vapor Pressure: 0.212mmHg at 25°C
• Boiling Point: 208.6°Cat760mmHg
• Flash Point: 71.3°C
• Density: 1.183g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 212.0415636
• Heavy Atom Count: 13
• Complexity: 236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)C(=C(F)Cl)F
• Isomeric SMILES: CCOC(=O)C(C)(C)/C(=C(\F)/Cl)/F

Technology Process of 3-Butenoic acid, 4-chloro-3,4-difluoro-2,2-dimethyl-, ethyl ester, (Z)-

There total 1 articles about 3-Butenoic acid, 4-chloro-3,4-difluoro-2,2-dimethyl-, ethyl ester, (Z)- 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:

Chlorotrifluoroethylene (79-38-9,9036-80-0) + Ethyl isobutyrate (97-62-1) → (E)-ethyl 4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate (144194-07-0) + (Z)-ethyl 4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate (144194-06-9)

Guidance literature:

With n-butyllithium; diisopropylamine; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) THF, hexane, -60 deg C, 1 h, 2.) HMPA, -60 -> -20 deg C;

DOI:10.1021/jo00050a052

upstream raw materials:

Chlorotrifluoroethylene

Ethyl isobutyrate