Cyclopentanecarboxylic acid

Base Information

• Chemical Name: Cyclopentanecarboxylic acid
• CAS No.: 3400-45-1
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• Hs Code.: 29162000
• European Community (EC) Number: 222-269-5
• NSC Number: 59714
• UNII: Z6691VH94A
• DSSTox Substance ID: DTXSID70187610
• Nikkaji Number: J7.729A
• Wikidata: Q27295058
• ChEMBL ID: CHEMBL1902018
• Mol file: 3400-45-1.mol

Synonyms:Cyclopentanecarboxylic acid;3400-45-1;CYCLOPENTANE CARBOXYLIC ACID;Cyclopentylcarboxylic acid;Cyclopentancarboxylic Acid;MFCD00001371;UNII-Z6691VH94A;Z6691VH94A;EINECS 222-269-5;NSC-59714;Cyclopentanoic acid;POTASSIUMARSENATE;Cyclopentylmethanoic acid;Cyclopentanecarboxylicacid;cyclopentane;formic acid;cyclopentyl carboxylic acid;cyclo-pentanecarboxylic acid;cyclopentancarbonsäure;SAMPL4, O8;SCHEMBL18504;CHEMBL1902018;Cyclopentanecarboxylic acid, 99%;DTXSID70187610;BDBM197307;CYCLOPENTANE,CARBOXYLIC ACID;BCP23229;NSC59714;STR06378;NSC 59714;STL168521;AKOS000119717;AB00138;AM83283;CS-W007448;PS-4047;NCGC00186409-01;NCGC00186409-02;NCGC00186409-03;CYCLOPENTANE CARBOXYLIC ACID [INCI];FT-0624253;EN300-19928;A822036;W-106757;Q27295058;F2191-0049;Z104476116;IQ0

Chemical Property of Cyclopentanecarboxylic acid

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.0626mmHg at 25°C
• Melting Point: 3-5 °C(lit.)
• Refractive Index: n20/D 1.453(lit.)
• Boiling Point: 213.832 °C at 760 mmHg
• PKA: 4.99(at 25℃)
• Flash Point: 96.251 °C
• PSA: 37.30000
• Density: 1.13 g/cm³
• LogP: 1.26120
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform, Ethyl Acetate
• Water Solubility.: SOLUBLE
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 92.7

Purity/Quality:

98%, ^*data from raw suppliers

Cyclopentanecarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(C1)C(=O)O
• Uses: Cyclopentanecarboxylic Acid is an aliphatic cycloalkyl carboxylic acid used in the preparation of amino acids and other biologically active compounds. Cyclopentanecarboxylic Acid was shown to have pla nt growth regulating activity. Cyclopentanecarboxylic Acid is an aliphatic cycloalkyl carboxylic acid used in the preparation of amino acids and other biologically active compounds. Cyclopentanecarboxylic Acid was shown to have plant growth regulating activity.

Technology Process of Cyclopentanecarboxylic acid

There total 80 articles about Cyclopentanecarboxylic 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: 99.0%

3-cyclopentene-1-carboxylic acid (7686-77-3) → cyclopentanecarboxylic acid (3400-45-1)

Guidance literature:

With palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In dichloromethane; at 25 ℃; for 12h; Schlenk technique; Inert atmosphere;

Reference yield: 99.0%

methyl cyclopentane carboxylate (4630-80-2) → cyclopentanecarboxylic acid (3400-45-1)

Guidance literature:

With pyrographite; sodium hydroxide; In water; at 20 ℃; for 24h; Reagent/catalyst; Temperature;

DOI:10.1016/j.tetlet.2020.152467

Reference yield: 99.0%

cyclopentanealdehyde (872-53-7) → cyclopentanecarboxylic acid (3400-45-1)

Guidance literature:

With 1-hydroxycyclohexyl phenyl ketone; sodium hydroxide; In 1,2-dimethoxyethane; at 80 ℃; chemoselective reaction; Sealed tube;

DOI:10.1021/acs.orglett.1c02188

upstream raw materials:

1-Chlor-7-oxa-bicyclo<4.1.0>heptan

ethanol

sodium ethanolate

cyclopentanecarbonitrile

Downstream raw materials:

methyl cyclopentane carboxylate

cyclopentanecarboxylic acid anhydride

ethyl cyclopentanecarboxylate

N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide

Refernces

• 1、 Edwards,Lesage. "-". . p. 2071. Retrieved 1959.
• 2、 Chen, Cheng,Cheng, Hua,Verpoort, Francis,Wang, Zhi-Qin,Wu, Zhe,Yuan, Ye,Zheng, Zhong-Hui. "Gram-scale synthesis of carboxylic acids via catalytic acceptorless dehydrogenative coupling of alcohols and hydroxides at an ultralow Ru loading". . . Retrieved 2021/12/13.
• 3、 Costa, Ines F. M.,Kirillova, Marina V.,André, Vania,Fernandes, Tiago A.,Kirillov, Alexander M.. "Time-Dependent Self-Assembly of Copper(II) Coordination Polymers and Tetranuclear Rings: Catalysts for Oxidative Functionalization of Saturated Hydrocarbons". supporting information. p. 14491 - 14503. Retrieved 2021/07/19.