Benzoic acid, 4-(1-carboxycyclopropyl)-2,3,5-trifluoro-, 1-ethyl ester

Base Information

Chemical Name:Benzoic acid, 4-(1-carboxycyclopropyl)-2,3,5-trifluoro-, 1-ethyl ester
CAS No.:127045-61-8
Molecular Formula:C₁₃H₁₁F₃O₄
Molecular Weight:288.223
Hs Code.:
DSSTox Substance ID:DTXSID10472436
Wikidata:Q82301380
Mol file:127045-61-8.mol

Synonyms:127045-61-8;Benzoic acid, 4-(1-carboxycyclopropyl)-2,3,5-trifluoro-, 1-ethyl ester;SCHEMBL9874790;DTXSID10472436

Suppliers and Price of Benzoic acid, 4-(1-carboxycyclopropyl)-2,3,5-trifluoro-, 1-ethyl ester

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
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price

Total 1 raw suppliers

Chemical Property of Benzoic acid, 4-(1-carboxycyclopropyl)-2,3,5-trifluoro-, 1-ethyl ester

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:288.06094331
Heavy Atom Count:20
Complexity:410

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC(=C(C(=C1F)F)C2(CC2)C(=O)O)F

Technology Process of Benzoic acid, 4-(1-carboxycyclopropyl)-2,3,5-trifluoro-, 1-ethyl ester

There total 8 articles about Benzoic acid, 4-(1-carboxycyclopropyl)-2,3,5-trifluoro-, 1-ethyl ester 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: 92.0%

: 127045-58-3
ethyl 4-(1-diphenylmethoxycarbonylcyclopropyl)-2,3,5-trifluorobenzoate

: 127045-61-8
ethyl 4-(1-carboxycyclopropyl)-2,3,5-trifluorobenzoate

Guidance literature:: With methoxybenzene; trifluoroacetic acid; for 2h; Ambient temperature;
DOI:10.1248/cpb.42.2063

Reference yield:

: 1201-31-6
2,3,4,5-tetrafluorobenzoic acid

: 127045-61-8
ethyl 4-(1-carboxycyclopropyl)-2,3,5-trifluorobenzoate

Guidance literature:: Multi-step reaction with 7 steps

1: 91 percent / thionyl chloride / 1 h / Heating

2: NaH / dimethylformamide / 12 h / Ambient temperature

3: 1.) TFA / 1.) RT, 20 h, 2.) toluene, reflux, 2 h

4: 91 percent / diethyl ether; petroleum ether / Ambient temperature

5: 95 percent / acetic anhydride / dimethylsulfoxide / 2 h / Ambient temperature

6: 69 percent / dimethylsulfoxide / 0.5 h / 15 - 20 °C

7: 92 percent / TFA, anisole / 2 h / Ambient temperature

With thionyl chloride; acetic anhydride; sodium hydride; methoxybenzene; trifluoroacetic acid; In diethyl ether; dimethyl sulfoxide; N,N-dimethyl-formamide; Petroleum ether;
DOI:10.1248/cpb.42.2063

Reference yield:

: 122894-73-9
ethyl 2,3,4,5-tetrafluorobenzenecarboxylate

: 127045-61-8
ethyl 4-(1-carboxycyclopropyl)-2,3,5-trifluorobenzoate

Guidance literature:: Multi-step reaction with 6 steps

1: NaH / dimethylformamide / 12 h / Ambient temperature

2: 1.) TFA / 1.) RT, 20 h, 2.) toluene, reflux, 2 h

3: 91 percent / diethyl ether; petroleum ether / Ambient temperature

4: 95 percent / acetic anhydride / dimethylsulfoxide / 2 h / Ambient temperature

5: 69 percent / dimethylsulfoxide / 0.5 h / 15 - 20 °C

6: 92 percent / TFA, anisole / 2 h / Ambient temperature

With acetic anhydride; sodium hydride; methoxybenzene; trifluoroacetic acid; In diethyl ether; dimethyl sulfoxide; N,N-dimethyl-formamide; Petroleum ether;
DOI:10.1248/cpb.42.2063