1-Phenylcyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-Phenylcyclopropanecarboxylic acid
• CAS No.: 6120-95-2
• Molecular Formula: C10H10 O2
• Molecular Weight: 162.188
• Hs Code.: 2916399090
• European Community (EC) Number: 228-090-9
• NSC Number: 154619
• UNII: FQ5VCA2EW3
• DSSTox Substance ID: DTXSID10210118
• Nikkaji Number: J81.149A
• Wikidata: Q72501593
• Mol file: 6120-95-2.mol

Synonyms:6120-95-2;1-Phenylcyclopropanecarboxylic acid;1-Phenyl-1-cyclopropanecarboxylic acid;1-phenylcyclopropane-1-carboxylic acid;Cyclopropanecarboxylic acid, 1-phenyl-;1-Phenyl-cyclopropanecarboxylic acid;MFCD00001288;EINECS 228-090-9;NSC-154619;1-Phenyl-1-cyclopropanecarboxylicacid;FQ5VCA2EW3;SCHEMBL6391;phenylcyclopropanecarboxylic acid;DTXSID10210118;HMS1773C10;1-phenyl-cyclopropanecarboxlic acid;1-phenylcyclo-propanecarboxylic acid;1-phenylcyclopropane carboxylic acid;1-phenyl cyclopropane carboxylic acid;NSC154619;STK126283;TD8143;1-phenyl-1-cyclopropylcarboxylic acid;1-Phenylcyclopropanecarboxylic acid #;1-phenyl-1cyclopropane carboxylic acid;AKOS000120629;BS-3878;CS-W007443;NSC 154619;PB48323;trans-phenyl-cyclopropanecarboxylic acid;1-phenyl-1-cyclopropane carboxylic acid;1-phenyl-1-cyclopropane-carboxylic acid;BP-12711;SY001231;AM20040857;FT-0608223;FT-0635985;P2324;1-Phenyl-1-cyclopropanecarboxylic acid, 97%;EN300-20986;A833099;J-505053;Z104485900

Chemical Property of 1-Phenylcyclopropanecarboxylic acid

Chemical Property:

• Appearance/Colour: white to tan powder
• Vapor Pressure: 0.000277mmHg at 25°C
• Melting Point: 85-87 °C(lit.)
• Refractive Index: 1.5782 (estimate)
• Boiling Point: 309.3 °C at 760 mmHg
• PKA: 4.30±0.20(Predicted)
• Flash Point: 141.2 °C
• PSA: 37.30000
• Density: 1.266 g/cm³
• LogP: 1.80280
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Phenyl-1-cyclopropanecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC1(C2=CC=CC=C2)C(=O)O
• Uses: 1-Phenyl-1-cyclopropanecarboxylic Acid, is an intermediate in the synthesis of pharmaceutical products including inhibitors and anticancer compounds. It is also used as the starting material in the synthesis of 2-(1-Phenylcyclopropyl)-4-oxazolecarboxylic Acid (P319785).

Technology Process of 1-Phenylcyclopropanecarboxylic acid

There total 23 articles about 1-Phenylcyclopropanecarboxylic 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: 98.0%

ethyl 1-phenyl-1-cyclopropanecarboxylate (87328-17-4) → 1-phenyl-1-cyclopropane carboxylic acid (6120-95-2)

Guidance literature:

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

Reference yield: 95.0%

1-phenyl-1-cyclopropanemethanol (31729-66-5) → 1-phenyl-1-cyclopropane carboxylic acid (6120-95-2)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; sodium chlorite; In acetonitrile; at 35 ℃; pH 6.7;

DOI:10.1021/jo982143y

Reference yield: 89.6%

1-cyano-1-phenylcyclopropane (935-44-4) → 1-phenyl-1-cyclopropane carboxylic acid (6120-95-2)

Guidance literature:

With potassium hydroxide; In diethylene glycol; for 8h; Heating;

DOI:10.1007/BF00765910

upstream raw materials:

1-cyano-1-phenylcyclopropane

1-phenyl-1-cyclopropanecarboxamide

ethyl 1-phenyl-1-cyclopropanecarboxylate

1-(1-phenyl-cyclopropyl)-ethanone

Downstream raw materials:

1-phenylcyclopropanecarbonyl chloride

1-phenyl-1-cyclopropanemethanol

1-(1-phenyl-cyclopropyl)-ethanone

1-Phenyl-cyclopropanecarboxylic acid methyl-((1R,2S)-2-pyrrolidin-1-yl-cyclohexyl)-amide

Refernces

• 1、 Shen, Peng-Xiang,Hu, Liang,Shao, Qian,Hong, Kai,Yu, Jin-Quan. "Pd(II)-Catalyzed Enantioselective C(sp3)-H Arylation of Free Carboxylic Acids". supporting information. p. 6545 - 6549. Retrieved 2018/05/23.
• 2、 -. "Pyruvate kinase activators for use in therapy". Page/Page column 98. . Retrieved 2016/08/29.