Cyclopropanecarboxylic acid, 3-(2-chloro-2-(4-chlorophenyl)ethenyl)-2,2-dimethyl-, ethyl ester, (1alpha,3beta(Z))-

Base Information

• Chemical Name: Cyclopropanecarboxylic acid, 3-(2-chloro-2-(4-chlorophenyl)ethenyl)-2,2-dimethyl-, ethyl ester, (1alpha,3beta(Z))-
• CAS No.: 78479-01-3
• Molecular Formula: C₁₆H₁₈Cl₂O₂
• Molecular Weight: 313.224
• Mol file: 78479-01-3.mol

Synonyms:Cyclopropanecarboxylic acid, 3-(2-chloro-2-(4-chlorophenyl)ethenyl)-2,2-dimethyl-, ethyl ester, (1alpha,3beta(Z))-;78479-01-3

Chemical Property of Cyclopropanecarboxylic acid, 3-(2-chloro-2-(4-chlorophenyl)ethenyl)-2,2-dimethyl-, ethyl ester, (1alpha,3beta(Z))-

Chemical Property:

• Vapor Pressure: 2.97E-06mmHg at 25°C
• Boiling Point: 388.9°C at 760 mmHg
• Flash Point: 141.6°C
• PSA: 26.30000
• Density: 1.249g/cm³
• LogP: 4.75500
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 312.0683852
• Heavy Atom Count: 20
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(C1(C)C)C=C(C2=CC=C(C=C2)Cl)Cl
• Isomeric SMILES: CCOC(=O)[C@H]1[C@@H](C1(C)C)/C=C(/C2=CC=C(C=C2)Cl)\Cl

Technology Process of Cyclopropanecarboxylic acid, 3-(2-chloro-2-(4-chlorophenyl)ethenyl)-2,2-dimethyl-, ethyl ester, (1alpha,3beta(Z))-

There total 3 articles about Cyclopropanecarboxylic acid, 3-(2-chloro-2-(4-chlorophenyl)ethenyl)-2,2-dimethyl-, ethyl ester, (1alpha,3beta(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: 54.3%

→ 2,2-Dimethyl-3-(2-chloro-2-p-chlorophenyl-vinyl)-cyclopropanecarboxylic acid ethyl ester (69770-49-6,73610-14-7,73610-15-8,73610-16-9,73610-69-2,78479-01-3,78479-02-4) + ethyl cyclopropylcarboxylate (4606-07-9)

Guidance literature:

Reference yield:

ethyl (+/-)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate (63142-57-4,60940-88-7) + (4-chlorphenyl)magnesium bromide (873-77-8) → ethyl trans-3-<(Z)-2-chloro-2-(4-chlorophenyl)ethenyl>-2,2-dimethylcyclopropanecarboxylate (78479-01-3)

Guidance literature:

With zinc(II) chloride; [1,4-bis(diphenylphosphino)butane] palladium(ll) dichloride; Yield given. Multistep reaction; 1) THF, r.t., 1.5 h, 2) THF, r.t., 6 h;

DOI:10.1021/jo00012a048

Reference yield:

→ 2,2-Dimethyl-3-(2-chloro-2-p-chlorophenyl-vinyl)-cyclopropanecarboxylic acid ethyl ester (69770-49-6,73610-14-7,73610-15-8,73610-16-9,73610-69-2,78479-01-3,78479-02-4)

Guidance literature:

4-Chlorbenzyl-phosphonsaeurediethylester + n-Butyl-Li + 2,2-Dimethyl-3-formyl- cyclopropancarbonsaeureethylester + CCl4 (unter N2).;

upstream raw materials:

ethyl (+/-)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

(4-chlorphenyl)magnesium bromide