Cyclopentylphenylacetic acid

Base Information

• Chemical Name: Cyclopentylphenylacetic acid
• CAS No.: 3900-93-4
• Deprecated CAS: 73522-27-7
• Molecular Formula: C13H16 O2
• Molecular Weight: 204.269
• Hs Code.: 29163900
• European Community (EC) Number: 223-454-3
• NSC Number: 68311
• UNII: 56T1UCM052
• DSSTox Substance ID: DTXSID90884018
• Nikkaji Number: J151.153J
• Wikidata: Q27261429
• Mol file: 3900-93-4.mol

Synonyms:alpha-phenylcyclopentylacetic acid;alpha-phenylcyclopentylacetic acid, (+-)-isomer;alpha-phenylcyclopentylacetic acid, (R)-isomer

Chemical Property of Cyclopentylphenylacetic acid

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Vapor Pressure: 4.17E-05mmHg at 25°C
• Melting Point: 98-100 °C(lit.)
• Refractive Index: 1.5180 (estimate)
• Boiling Point: 337.2°Cat760mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 234.2°C
• PSA: 37.30000
• Density: 1.141g/cm³
• LogP: 3.04500
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: methanol: soluble50mg/mL, clear, colorless
• Water Solubility.: Insoluble in water.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

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

2-Cyclopentyl-2-phenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(C1)C(C2=CC=CC=C2)C(=O)O
• Uses: Cyclopentylphenylacetic acid was used in the synthesis of:1-cyclopentyl-l-phenyl-2-(p-alkoxyphenyl)ethylenessoft ester analogs of anticholinergics

Technology Process of Cyclopentylphenylacetic acid

There total 11 articles about Cyclopentylphenylacetic 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:

→ 2-cyclopentyl-2-phenylacetic acid (3900-93-4)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01191a096

Reference yield:

phenylacetic acid (103-82-2) + cyclopentyl iodide (1556-18-9) → 2-cyclopentyl-2-phenylacetic acid (3900-93-4)

Guidance literature:

phenylacetic acid; With n-butyllithium; In tetrahydrofuran; hexanes; at 0 ℃; for 0.166667h; Inert atmosphere;

cyclopentyl iodide; In tetrahydrofuran; hexanes; Inert atmosphere;

DOI:10.1021/ja205107x

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + (E/Z)-(6-bromohex-1-enyl)-benzene (295324-71-9) → 2-cyclopentyl-2-phenylacetic acid (3900-93-4)

Guidance literature:

With tert-butylammonium hexafluorophosphate(V); In N,N-dimethyl-formamide; at 22 ℃; Glovebox; Sealed tube; Inert atmosphere; Electrolysis;

DOI:10.1021/jacs.0c08532

upstream raw materials:

carbon dioxide

rac-cyclopentyl(phenyl)acetonitrile

cyclopentyl chloride

phenylacetonitrile

Downstream raw materials:

2-cyclopentyl-1-(4-methoxy-phenyl)-2-phenyl-ethanone

methyl 4-<<6-(2-cyclopentyl-2-phenylacetamido)indol-1-yl>methyl>-3-methoxybenzoate

(S)-5-(2-Cyclopentyl-2-phenyl-acetyl)-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester

N-[2-(cyclopentylphenylacetylamino)phenyl]-cyclohexylphenylacetamide

Refernces

• 1、 Zhang, Wen,Lin, Song. "Electroreductive Carbofunctionalization of Alkenes with Alkyl Bromides via a Radical-Polar Crossover Mechanism". supporting information. p. 20661 - 20670. Retrieved 2020/12/23.
• 2、 Bailey, William F.,Gavaskar, Kaustubh V.. "Anionic cyclization of olefinic alkyllithiums: Ring closure of terminally substituted 5-hexenyllithiums". . p. 5957 - 5970. Retrieved 2007/10/02.