1-Chloroethyl Cyclohexyl Carbonate

Base Information

• Chemical Name: 1-Chloroethyl Cyclohexyl Carbonate
• CAS No.: 99464-83-2
• Molecular Formula: C9H15ClO3
• Molecular Weight: 206.669
• Hs Code.: 2920909090
• European Community (EC) Number: 444-950-8,619-434-2
• DSSTox Substance ID: DTXSID50459428
• Nikkaji Number: J243.035E
• Mol file: 99464-83-2.mol

Synonyms:1-Chloroethyl Cyclohexyl Carbonate;99464-83-2;CYCLOHEXYL 1-CHLOROETHYLCARBONATE;Carbonic Acid 1-Chloroethyl Cyclohexyl Ester;1-Chloroethylcyclohexylcarbonate;Carbonic acid, 1-chloroethyl cyclohexyl ester;MFCD04038149;EC 444-950-8;1-chloroethylcyclohexyl carbonate;N-Boc-2-benzylpiperazine;SCHEMBL654885;cyclohexyl 1-chlorethyl carbonate;ONZWFHWHTYZZLM-UHFFFAOYSA-;1-chloroethyl cyclohexyloxyformate;DTXSID50459428;cyclohexyl 1-chloroethyl carbonate;ONZWFHWHTYZZLM-UHFFFAOYSA-N;Chloro-1-ethylcyclohexyl carbonate;BCP12276;alpha-chloroethyl cyclohexyl carbonate;AKOS015840877;AB17043;CS-W015297;s10074;AS-12824;1-cyclohexyloxycarbonyloxy-1-ethyl chloride;C1786;FT-0642398;1-{[(cyclohexyloxy)carbonyl]-oxy}-1-chloroethane;A922731;Carbonic acid cyclohexyl ester 1-chloro-ethyl ester;J-504528;InChI=1/C9H15ClO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3

Chemical Property of 1-Chloroethyl Cyclohexyl Carbonate

Chemical Property:

• Appearance/Colour: Colorless and transparent liquid
• Vapor Pressure: 0.00307mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 283.9 °C at 760 mmHg
• Flash Point: 115.6 °C
• PSA: 35.53000
• Density: 1.13 g/cm³
• LogP: 3.05710
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Ethyl Acetate, Methanol (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 206.0709720
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

1-Chloroethyl Cyclohexyl Carbonate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(OC(=O)OC1CCCCC1)Cl
• Uses: 1-Chloroethyl Cyclohexyl Carbonate is a genotoxic impurity used in the synthesis of Candesartan Cilexetil. an angiotensin II receptor antagonist.

Technology Process of 1-Chloroethyl Cyclohexyl Carbonate

There total 6 articles about 1-Chloroethyl Cyclohexyl Carbonate 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: 96.9%

→ 1-chloroethyl cyclohexyl carbonate (99464-83-2)

Guidance literature:

Reference yield: 94.0%

carbonochloridic acid 1-chloro-ethyl ester (50893-53-3) + cyclohexanol (108-93-0) → 1-chloroethyl cyclohexyl carbonate (99464-83-2)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃;

Reference yield: 93.0%

paracetaldehyde (123-63-7) + cyclohexanol (108-93-0) + trichloromethyl chloroformate (503-38-8) → 1-chloroethyl cyclohexyl carbonate (99464-83-2)

Guidance literature:

paracetaldehyde; trichloromethyl chloroformate; With pyridine; at -10 - 0 ℃; for 8h;

cyclohexanol; With pyridine; at 20 ℃; for 3h; Reagent/catalyst; Temperature;

upstream raw materials:

acetaldehyde

cyclohexyl chloroformate

carbonochloridic acid 1-chloro-ethyl ester

cyclohexanol

Downstream raw materials:

(S,S)-[4-[2-benzyloxycarbonylamino-3-(4-methoxyphenyl)propionyl]-3-(3-benzyloxycarbonylaminopropyl)-2-oxopiperazin-1-yl]acetic acid 1-cyclohexyloxycarbonyloxy ethyl ester

2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1H-benzimidazole-7-carboxylicacid-1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester

3-(2-{[4-chloro-3-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-benzoyl]-methyl-amino}-phenoxy)-propionic acid 1-cyclohexyloxycarbonyloxy-ethyl ester

1-(cyclohexyloxycarbonyloxy)ethyl 2-bromo-3-(ethoxy(1-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methylamino)methyleneamino)benzoate

Refernces

• 1、 -. "Substituted aza indole compounds and salts thereof, composition and use thereof". Paragraph 0586; 0587; 0611; 0613; 0614. . Retrieved 2018/11/03.
• 2、 -. "SUBSTITUTED AZAINDOLE COMPOUNDS, SALTS, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF USE". Paragraph 0435-0436; 0453-0454. . Retrieved 2014/03/24.