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

Base Information

Chemical Name:cis-3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid
CAS No.:76023-99-9
Deprecated CAS:76647-97-7
Molecular Formula:C₉H₁₀ClF₃O₂
Molecular Weight:242.625
Hs Code.:
European Community (EC) Number:614-283-9,813-821-1,615-798-1
DSSTox Substance ID:DTXSID70887168,DTXSID101335879
Nikkaji Number:J483.205A,J922.922A
Wikidata:Q76386748

Synonyms:Lambda-cyhalothric acid;72748-35-7;68127-59-3;cis-3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid;cis-Cyhalothric acid;76023-99-9;(1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid;EC 614-283-9;C9H10ClF3O2;Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cis-;(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylic acid;(1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid;Cyclopropanecarboxylic acid, 3-((1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-, (1R,3R)-rel-;C9-H10-Cl-F3-O2;Cyhalothric acid;Z-(1R,S)-cis-2,2-dimethyl-3-(2,2-chloro-3,3,3-trifluoro-1-propenyl)cyclopropanecarboxylic acid;(1R-cis)-Cyhalothric Acid;SCHEMBL2353926;DTXSID70887168;Cis-3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylicacid;DTXSID101335879;Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (1a,3a(Z));MFCD04112623;AKOS015907709;BG-0206;CS-W008660;EN300-6734387;2,2-Dimethyl-3beta-(2-chloro-3,3,3-trifluoro-1-propenyl)cyclopropane-1beta-carboxylic acid;cis-3-[(2-Chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid;(1R,3R)-3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimet hylcyclopropanecarboxylic acid;Cyclopropanecarboxylic acid,3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (1R,3R)-rel-;rac-(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylic acid

Suppliers and Price of cis-3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(1R-cis)-CyhalothricAcid
50mg
$ 340.00

Medical Isotopes, Inc.
(1R-cis)-CyhalothricAcid
50 mg
$ 675.00

Medical Isotopes, Inc.
(1R-cis)-CyhalothricAcid
25 mg
$ 550.00

Total 1 raw suppliers

Chemical Property of cis-3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid

Chemical Property:

Boiling Point:271.6±40.0 °C(Predicted)
Density:1.449±0.06 g/cm3(Predicted)
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:242.0321417
Heavy Atom Count:15
Complexity:320

Purity/Quality:

99.9% ^*data from raw suppliers

(1R-cis)-CyhalothricAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(C(C1C(=O)O)C=C(C(F)(F)F)Cl)C
Isomeric SMILES:CC1([C@H]([C@H]1C(=O)O)/C=C(/C(F)(F)F)\Cl)C

Technology Process of cis-3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid

There total 9 articles about cis-3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid 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: 84.0%

: 107686-54-4,187592-70-7
4-(1,1-Dichloro-2,2,2-trifluoro-ethyl)-6,6-dimethyl-3-oxa-bicyclo[3.1.0]hexan-2-one

: 68086-36-2,68127-59-3,68127-60-6,68127-61-7,72257-63-7,72257-64-8,72748-35-7,72748-68-6,74111-94-7,74111-95-8,74609-46-4,76023-99-9,76647-97-7,82796-20-1,83212-82-2,87725-85-7,90129-56-9,104531-12-6,104531-15-9,122045-31-2,122406-91-1
(+/-)-cis-3-<(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl>-2,2-dimethylcyclopropanecarboxylic acid

Guidance literature:: With zinc; In N,N-dimethyl-formamide; at 60 ℃; for 3h;
DOI:10.1016/S0040-4039(00)84469-X

Reference yield:

: 92880-79-0,107497-60-9
Bifenthrin

: 76350-90-8
(2-methyl-[1,1′-biphenyl]-3-yl)methanol

: 76023-99-9
(1R,3R)-3-((Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2,-dimethylcyclopropane-1-carboxylic acid

Guidance literature:: With potassium hydroxide; In methanol; for 2h; Heating;
DOI:10.1002/ps.2780440310

Reference yield:

: 103654-93-9
2,2-dichloro-1,1,1-trifluoro-5-methyl-4-hexen-3-ol

: 68086-36-2,68127-59-3,68127-60-6,68127-61-7,72257-63-7,72257-64-8,72748-35-7,72748-68-6,74111-94-7,74111-95-8,74609-46-4,76023-99-9,76647-97-7,82796-20-1,83212-82-2,87725-85-7,90129-56-9,104531-12-6,104531-15-9,122045-31-2,122406-91-1
(+/-)-cis-3-<(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl>-2,2-dimethylcyclopropanecarboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 88 percent / sodium acetate / 4 h / 80 °C

2: 82 percent / triethylamine, tosyl azide, 1.2 M sodium hydroxide / acetonitrile; H₂O / 1.5 h / Ambient temperature

3: 75 percent / copper(II) acetylacetone / dioxane / 2.5 h / Heating

4: zinc / dimethylformamide / 3 h / 60 °C

With sodium hydroxide; 4-toluenesulfonyl azide; sodium acetate; triethylamine; zinc; copper acetylacetonate; In 1,4-dioxane; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1246/bcsj.60.4385