Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-

Base Information

• Chemical Name: Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-
• CAS No.: 99903-54-5
• Molecular Formula: C₉H₄ClF₉O₂
• Molecular Weight: 350.568

Synonyms:99903-54-5;Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-

Chemical Property of Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-

Chemical Property:

• Vapor Pressure: 0.00443mmHg at 25°C
• Boiling Point: 257.4°Cat760mmHg
• Flash Point: 109.5°C
• Density: 1.811g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 349.9756105
• Heavy Atom Count: 21
• Complexity: 459

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans-

There total 2 articles about Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-bis(trifluoromethyl)-, trans- 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 (dimethylsulfuranylidene)acetate (7380-81-6) + 4,4,4-Trifluor-3-(trifluormethyl)-2-butenal-diethylacetal (99903-42-1) + (1-Chloro-2,2,2-trifluoro-ethylidene)-triphenyl-λ5-phosphane (99903-48-7) → dimethylsulfide (75-18-3) + trans-3-(2-Chlor-3,3,3-trifluor-1-propenyl)-2,2-bis(trifluormethyl)cyclopropancarbonsaeure (99903-54-5,121701-42-6,121784-49-4) + (1R,3R)-3-((Z)-2-Chloro-3,3,3-trifluoro-propenyl)-2,2-bis-trifluoromethyl-cyclopropanecarboxylic acid (99903-54-5,121701-42-6,121784-49-4) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

Multistep reaction. Title compound not separated from byproducts;

Reference yield:

ethyl (dimethylsulfuranylidene)acetate (7380-81-6) + 4,4,4-Trifluor-3-(trifluormethyl)-2-butenal-diethylacetal (99903-42-1) + (1-Chloro-2,2,2-trifluoro-ethylidene)-triphenyl-λ5-phosphane (99903-48-7) → dimethylsulfide (75-18-3) + trans-3-(2-Chlor-3,3,3-trifluor-1-propenyl)-2,2-bis(trifluormethyl)cyclopropancarbonsaeure (99903-54-5,121701-42-6,121784-49-4) + (1R,3R)-3-((Z)-2-Chloro-3,3,3-trifluoro-propenyl)-2,2-bis-trifluoromethyl-cyclopropanecarboxylic acid (99903-54-5,121701-42-6,121784-49-4) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

Multistep reaction. Title compound not separated from byproducts;

upstream raw materials:

ethyl (dimethylsulfuranylidene)acetate

4,4,4-Trifluor-3-(trifluormethyl)-2-butenal-diethylacetal

(1-Chloro-2,2,2-trifluoro-ethylidene)-triphenyl-λ⁵-phosphane

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