1-[3-(Trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

Base Information

• Chemical Name: 1-[3-(Trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
• CAS No.: 104173-41-3
• Molecular Formula: C11H9F3O2
• Molecular Weight: 230.186
• Hs Code.: 2916399090
• European Community (EC) Number: 822-640-7
• DSSTox Substance ID: DTXSID80547281
• Wikidata: Q82425399
• Mol file: 104173-41-3.mol

Synonyms:104173-41-3;1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid;1-[3-(Trifluoromethyl)phenyl]cyclopropanecarboxylic acid;MFCD07374444;1-(3-(trifluoromethyl)phenyl)cyclopropanecarboxylic acid;1-(3-(trifluoromethyl)phenyl)cyclopropane-1-carboxylic acid;NHNFWACSJQAMDR-UHFFFAOYSA-N;SCHEMBL696251;1-[3-(Trifluoromethyl)phenyl]-cyclopropanecarboxylic acid;DTXSID80547281;AKOS000265635;AB39480;SY083353;TS-03277;CS-0440405;EN300-66686;E10045;1-(3-Trifluoromethylphenyl)-1-carboxycyclopropane;1-(3-(trifluoromethyl)phenyl)cyclopropanecarboxylicacid;Z361883668

Chemical Property of 1-[3-(Trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00128mmHg at 25°C
• Boiling Point: 285.8oC at 760 mmHg
• Flash Point: 126.6oC
• PSA: 37.30000
• LogP: 2.82160
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 230.05546401
• Heavy Atom Count: 16
• Complexity: 294

Purity/Quality:

97% ^*data from raw suppliers

1-(3-(Trifluoromethyl)phenyl)cyclopropanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC(=CC=C2)C(F)(F)F)C(=O)O

Technology Process of 1-[3-(Trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

There total 7 articles about 1-[3-(Trifluoromethyl)phenyl]cyclopropane-1-carboxylic 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: 92.0%

1-(3-Trifluoromethyl-phenyl)-cyclopropanecarboxylic acid methyl ester (104173-39-9) → 1-(3-(trifluoromethyl)phenyl)cyclopropane-1-carboxylic acid (104173-41-3)

Guidance literature:

With potassium hydroxide; In methanol; for 3h; Heating;

Reference yield: 82.0%

1-(3-(trifluoromethyl)phenyl)cyclopropane-1-carbonitrile → 1-(3-(trifluoromethyl)phenyl)cyclopropane-1-carboxylic acid (104173-41-3)

Guidance literature:

With water; lithium hydroxide; at 100 ℃; for 15h;

DOI:10.1021/jm9013696

Reference yield:

ethyl 3-trifluoromethylphenylacetate (331-33-9) → 1-(3-(trifluoromethyl)phenyl)cyclopropane-1-carboxylic acid (104173-41-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 1) NaOCH₃, (COOEt)2, 2) aq. K₂CO₃ / 1) benzene, r.t., overnight, 2) water, 15 deg C, 2 h

2: 96 percent / benzyltriethylammonium chloride, 50percent NaOH / CH₂Cl₂ / 18 h / Ambient temperature

3: Mg / 1 h / Ambient temperature

4: 92 percent / aq. KOH / methanol / 3 h / Heating

With potassium hydroxide; sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; sodium methylate; potassium carbonate; magnesium; oxalic acid diethyl ester; In methanol; dichloromethane;

upstream raw materials:

1-(3-Trifluoromethyl-phenyl)-cyclopropanecarboxylic acid methyl ester

ethyl 3-trifluoromethylphenylacetate

2-<3-(Trifluormethyl)phenyl>acrylsaeure-ethylester

2,2-Dibromo-1-(3-trifluoromethyl-phenyl)-cyclopropanecarboxylic acid ethyl ester

Downstream raw materials:

N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-phenyl]cyclopropanecarboxamide

(4R)-4-{[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]sulfonyl}-N-(1-cyanocyclopropyl)-1-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-prolinamide

(4R)-4-[(2-chlorophenyl)sulfonyl]-N-(1-cyanocyclopropyl)-1-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-prolinamide

1-[3-(trifluoromethyl)-phenyl]cyclopropanecarbonyl chloride