Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2,2-trichloroethyl)-, ethyl ester, (1R,3R)-rel-

Base Information

• Chemical Name: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2,2-trichloroethyl)-, ethyl ester, (1R,3R)-rel-
• CAS No.: 60254-14-0
• Molecular Formula: C10H15Cl3O2
• Molecular Weight: 273.5839
• DSSTox Substance ID: DTXSID20886388
• Nikkaji Number: J423.140F
• Wikidata: Q82865200

Synonyms:60254-14-0;Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2,2-trichloroethyl)-, ethyl ester, (1R,3R)-rel-;SCHEMBL11551245;DTXSID20886388

Chemical Property of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2,2-trichloroethyl)-, ethyl ester, (1R,3R)-rel-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 272.013763
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2,2-trichloroethyl)-, ethyl ester, (1R,3R)-rel-

There total 2 articles about Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2,2-trichloroethyl)-, ethyl ester, (1R,3R)-rel- 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:

ethyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate (60066-53-7) → ethyl 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropanecarboxylate (60066-84-4,60254-14-0,63314-51-2,77715-95-8,77715-96-9,77715-97-0,77715-98-1) + ethyl 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropanecarboxylate

Guidance literature:

With sodium t-butanolate; In tert-butyl alcohol; for 2h; Product distribution; Heating; variation of solvents, time and temperature; cis/trans ratio;

DOI:10.1246/bcsj.59.221

Reference yield:

→ ethyl 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropanecarboxylate (60066-84-4,60254-14-0,63314-51-2,77715-95-8,77715-96-9,77715-97-0,77715-98-1)

Guidance literature:

2,2-Dimethyl-3,5,5,5-tetrachlor-pentan-1-aethylcarboxylat;

upstream raw materials:

ethyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate

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