Cyclopropanecarbonyl chloride, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-

Base Information

• Chemical Name: Cyclopropanecarbonyl chloride, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-
• CAS No.: 78246-90-9
• Molecular Formula: C9H9 Cl2 F3 O
• Molecular Weight: 261.071
• DSSTox Substance ID: DTXSID50888537
• Mol file: 78246-90-9.mol

Synonyms:78246-90-9;Cyclopropanecarbonyl chloride, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-;SCHEMBL3365806;DTXSID50888537;ABALMDTULZCSTP-UHFFFAOYSA-N

Chemical Property of Cyclopropanecarbonyl chloride, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 259.9982548
• Heavy Atom Count: 15
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C1C(=O)Cl)C=C(C(F)(F)F)Cl)C

Technology Process of Cyclopropanecarbonyl chloride, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-

There total 1 articles about Cyclopropanecarbonyl chloride, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl- 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: 92.9%

3-(2-chloro-3,3,3-trifluoroprop-1-en-yl)-2,2-dimethylcyclopropanecarboxylic acid (74609-46-4) → cyhalothrin chloride (78246-90-9,68127-98-0,76496-71-4)

Guidance literature:

With phosgene; at 100 ℃; for 4h;

Reference yield: 98.5%

cyhalothrin chloride (78246-90-9,68127-98-0,76496-71-4) + (2-methyl-[1,1′-biphenyl]-3-yl)methanol (76350-90-8) → rel-(1R,3R)-(2-methyl[1,1'-biphenyl]-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylate (82657-04-3,92880-79-0,107497-60-9)

Guidance literature:

With hexamethylenetetramine; at 40 - 45 ℃; for 5h; Temperature; Reagent/catalyst; Large scale;

Reference yield: 91.7%

sodium cyanide (773837-37-9) + cyhalothrin chloride (78246-90-9,68127-98-0,76496-71-4) + 3-Phenoxybenzaldehyde (39515-51-0) → α-cyano-3-phenoxybenzyl-3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate (68085-85-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; at 40 ℃; for 4h;

upstream raw materials:

3-(2-chloro-3,3,3-trifluoroprop-1-en-yl)-2,2-dimethylcyclopropanecarboxylic acid

Downstream raw materials:

C₁₇H₁₃ClF₈O₂

α-cyano-3-phenoxybenzyl-3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate

rel-(1R,3R)-(2-methyl[1,1'-biphenyl]-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylate

Refernces

• 1、 -. "Preparation method of cyanogen chrysanthemum ester insecticide". Paragraph 0029; 0033. . Retrieved 2017/08/25.
• 2、 -. "Arthropodicidal 2,2-dimethyl-3-(2-perfluoroalkyl-2-perhaloalkyl-vinyl)-cyclopropanecarboxylic acid esters". . . Retrieved 2008/06/13.