Cyclopentyl chloroformate

Base Information

• Chemical Name: Cyclopentyl chloroformate
• CAS No.: 50715-28-1
• Molecular Formula: C6H9ClO2
• Molecular Weight: 148.589
• Hs Code.: 2915900090
• European Community (EC) Number: 411-460-0,691-609-6
• DSSTox Substance ID: DTXSID00371005
• Nikkaji Number: J1.797.518H
• Wikidata: Q72460415
• Mol file: 50715-28-1.mol

Synonyms:Cyclopentyl chloroformate;50715-28-1;cyclopentyl carbonochloridate;Cyclopentylchloroformate;Carbonochloridic acid, cyclopentyl ester;MFCD00144029;EC 411-460-0;Cyclopentylchloroformiate;cyclopentyl chlorocarbonate;cyclopentylcarbonochloridate;SCHEMBL67220;ZFQCRLNKHHXELH-UHFFFAOYSA-;DTXSID00371005;ZFQCRLNKHHXELH-UHFFFAOYSA-N;Chloroformic acid cyclopentyl ester;AKOS006230402;AS-58401;SY019967;FT-0600800;EN300-206219;A851956;J-520182;F2158-1504;InChI=1/C6H9ClO2/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2

Chemical Property of Cyclopentyl chloroformate

Chemical Property:

• Vapor Pressure: 1.27mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 173.32 °C at 760 mmHg
• Flash Point: 66.742 °C
• PSA: 26.30000
• Density: 1.19 g/cm³
• LogP: 2.30440
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 148.0291072
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

CyclopentylChloroformate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 10-22-23-41-43-48/22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)OC(=O)Cl
• Uses: Cyclopentyl Chloroformate is a chemical reagent used in the synthesis of novel peptidomimetic Hep C protease inhibitors.

Technology Process of Cyclopentyl chloroformate

There total 5 articles about Cyclopentyl chloroformate 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: 97.4%

bis(trichloromethyl) carbonate (32315-10-9) + Cyclopentanol (96-41-3) → cyclopentyl chloroformate (50715-28-1)

Guidance literature:

With triethylamine; In dichloromethane; at -5 - 20 ℃; for 13h;

Reference yield: 82.0%

phosgene (75-44-5) + Cyclopentanol (96-41-3) → cyclopentyl chloroformate (50715-28-1)

Guidance literature:

With quinoline; In diethyl ether; toluene; at 0 ℃;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + Cyclopentamine (1003-03-8) → cyclopentyl chloroformate (50715-28-1)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; Inert atmosphere; Cooling with ice; Enzymatic reaction;

upstream raw materials:

phosgene

Cyclopentanol

bis(trichloromethyl) carbonate

Cyclopentamine

Downstream raw materials:

N-cyclopentyloxycarbonyl-L-phenylalanine

4-{[(cyclopentyloxy)carbonyl]amino}benzoic acid

methyl 4-<<6-amino>indol-1-yl>methyl>-3-methoxybenzoate

methyl 4-[6-(cyclopentyloxycarbonyl)aminoindazol-1-ylmethyl]-3-methoxybenzoate

Refernces

• 1、 Cheng, Ya-Juan,Liu, Zhi-Yong,Liang, Hua-Ju,Fang, Cui-Ting,Zhang, Niu-Niu,Zhang, Tian-Yu,Yan, Ming. "Discovery of (3-Benzyl-5-hydroxyphenyl)carbamates as new antitubercular agents with potent in vitro and in vivo efficacy". . . Retrieved 2019/06/07.
• 2、 Zhang, Zai,Liu, Minhua,Liu, Weidong,Xiang, Jun,Li, Jianming,Li, Zhong,Liu, Xingping,Huang, Mingzhi,Liu, Aiping,Zheng, Xingliang. "Synthesis and fungicidal activities of perfluoropropan-2-yl-based novel quinoline derivatives". . p. 91 - 97. Retrieved 2019/06/24.