trans-2-Phenylcyclopropanecarboxylic acid

Base Information

• Chemical Name: trans-2-Phenylcyclopropanecarboxylic acid
• CAS No.: 939-90-2
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 29163990
• European Community (EC) Number: 213-366-3,821-594-5
• NSC Number: 40846
• UNII: AJY6BGY81V,7696C9G4PM
• DSSTox Substance ID: DTXSID301272871
• Nikkaji Number: J79.804E
• Wikidata: Q27149084
• Mol file: 939-90-2.mol

Synonyms:(1R)-menthyl (1S,2S)-(+)-2-phenylcyclopropanecarboxylate;2-PhCPCOOH;2-phenylcyclopropanecarboxylic acid;2-phenylcyclopropanecarboxylic acid, (1R-trans)-isomer;2-phenylcyclopropanecarboxylic acid, (cis)-isomer

Chemical Property of trans-2-Phenylcyclopropanecarboxylic acid

Chemical Property:

• Appearance/Colour: White to beige crystalline powder
• Vapor Pressure: 0.000165mmHg at 25°C
• Melting Point: 86-88 °C(lit.)
• Refractive Index: 1.5782 (estimate)
• Boiling Point: 317.1 °C at 760 mmHg
• PKA: 4.57±0.10(Predicted)
• Flash Point: 144.3 °C
• PSA: 37.30000
• Density: 1.25 g/cm³
• LogP: 1.87470
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Dichloromethane, Ethanol
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

ractrans-2-PhenylcyclopropanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C1C(=O)O)C2=CC=CC=C2
• Isomeric SMILES: C1[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2

Technology Process of trans-2-Phenylcyclopropanecarboxylic acid

There total 58 articles about trans-2-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%

(1R,2R)-2-Phenyl-cyclopropanecarboxylic acid ((R)-1-phenyl-ethyl)-amide → trans-2-phenylcyclopropane-1-carboxylic acid (939-90-2)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In ethylene glycol; at 160 ℃; for 30h;

DOI:10.1021/jm990562x

Reference yield: 97.0%

(1R*,2R*)-N-methoxy-N-methyl-2-phenylcyclopropanecarboxamide (134198-11-1,137386-99-3) → trans-2-phenylcyclopropane-1-carboxylic acid (939-90-2)

Guidance literature:

With potassium tert-butylate; In diethyl ether; water;

DOI:10.1016/S0040-4039(00)79644-4

Reference yield: 93.0%

ethyl rac-(1S,2S)-2-phenylcycloproanecarboxylate (946-39-4) → trans-2-phenylcyclopropane-1-carboxylic acid (939-90-2)

Guidance literature:

With ethanol; potassium hydroxide; at 20 ℃;

DOI:10.1021/ja101557k

upstream raw materials:

(+/-)-trans-2-phenylcyclopropanecarbonitrile

cyclohexane

peracide phenyl-2-cyclopropane carboxyloque trans

ethyl 2-phenylcyclopropylcarboxylate

Downstream raw materials:

(1R,2S)-1-[4-(2,4-dimethylphenyl)piperazyl]carbonyl-2-phenylcyclopropane

[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-((1S,2S)-2-phenyl-cyclopropyl)-methanone

(1S,2S)-2-phenylcyclopropanecarboxylic acid methyl ester

(1S,2R)-2-phenylcyclopropanecarboxylic acid methyl ester