Cyclohexyl 2-chloroacetate

Base Information

• Chemical Name: Cyclohexyl 2-chloroacetate
• CAS No.: 6975-91-3
• Molecular Formula: C8H13ClO2
• Molecular Weight: 176.643
• Hs Code.: 2915400090
• European Community (EC) Number: 640-680-1
• NSC Number: 20552
• DSSTox Substance ID: DTXSID60281151
• Nikkaji Number: J1.417.469I
• Wikidata: Q82014938
• Mol file: 6975-91-3.mol

Synonyms:cyclohexyl 2-chloroacetate;6975-91-3;Cyclohexyl chloroacetate;Acetic acid, 2-chloro-, cyclohexyl ester;CYCLOHEXYL2-CHLOROACETATE;MFCD00084989;Cyclohexyl chloroacetate #;SCHEMBL142400;DTXSID60281151;Chloroacetic acid, cyclohexyl ester;NSC20552;NSC-20552;AKOS006229422;AM804247;SY279153;WS-01528;CS-0314602;FT-0624209;N-(2-THIOPHENECARBOMYL)PYRIDINIUMBROMIDE;EN300-6889904;J-520163

Chemical Property of Cyclohexyl 2-chloroacetate

Chemical Property:

• Vapor Pressure: 0.0775mmHg at 25°C
• Melting Point: 227.4 °C at 760 mmHg
• Refractive Index: 1.465
• Boiling Point: 99.7 °C
• Flash Point: 99.7°C
• PSA: 26.30000
• Density: 1.11 g/cm³
• LogP: 2.10110
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.0604073
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexyl2-Chloroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)CCl

Technology Process of Cyclohexyl 2-chloroacetate

There total 3 articles about Cyclohexyl 2-chloroacetate 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%

chloroacetic acid (79-11-8) + cyclohexanol (108-93-0) → cyclohexyl 2-chloroacetate (6975-91-3)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 4h; Reflux;

Reference yield: 87.0%

chloroacetyl chloride (79-04-9) + cyclohexanol (108-93-0) → cyclohexyl 2-chloroacetate (6975-91-3)

Guidance literature:

With triethylamine; In diethyl ether; for 1h; Ambient temperature;

DOI:10.1021/jm00119a015

Reference yield:

→ cyclohexyl 2-chloroacetate (6975-91-3)

Guidance literature:

Cyclohexen, Chloressigsaeure, Δ in wss. Perchlorsaeure;

upstream raw materials:

chloroacetyl chloride

cyclohexanol

chloroacetic acid

Downstream raw materials:

β-Cyan-β-phenyl-propionsaeure-cyclohexylester

β-Cyan-β-phenyl-glutarsaeure-di-cyclohexylester

cyclohexylacetyl 4-hydroxyphenylacetate

cyclohexyl azidoacetate

Refernces

• 1、 Barbosa-Filho, José M.,Brand?o, Maria Cláudia R.,Lima, Edeltrudes O.,Lira, Bruno F.,Neto, Hermes D.,Souza, Helivaldo D. S.,Trindade, Emmely O.,de Athayde-Filho, Petr?nio F.. "New Diesters Derived from Piperine: In silico Study and Evaluation of Their Antimicrobial Potential". . p. 1668 - 1678. Retrieved 2020/10/09.
• 2、 Bogdal, Dariusz,Warzala, Marek. "Microwave-assisted preparation of benzo[b]furans under solventless phase-transfer catalytic conditions". . p. 8769 - 8773. Retrieved 2007/10/03.