Cetyl chloroformate

Base Information

• Chemical Name: Cetyl chloroformate
• CAS No.: 26272-90-2
• Molecular Formula: C17H33 Cl O2
• Molecular Weight: 304.901
• Hs Code.: 29159000
• European Community (EC) Number: 247-578-2
• NSC Number: 137911
• UNII: WRC65MY1ID
• DSSTox Substance ID: DTXSID9067194
• Nikkaji Number: J208.249G
• Wikidata: Q27292789
• Mol file: 26272-90-2.mol

Synonyms:Cetyl chloroformate;26272-90-2;hexadecyl carbonochloridate;Hexadecyl chloroformate;Carbonochloridic acid, hexadecyl ester;Chloroformic Acid Cetyl Ester;n-hexadecyl chloroformate;UNII-WRC65MY1ID;WRC65MY1ID;palmityloxycarbonyl chloride;Chloroformic acid n-hexadecyl ester;EINECS 247-578-2;NSC 137911;NSC-137911;EC 247-578-2;C17H33ClO2;starbld0016559;hexadecyloxycarbonylchloride;Cetyl chloroformate, 96%;SCHEMBL82166;DTXSID9067194;C17-H33-Cl-O2;Chloroformic Acid Hexadecyl Ester;Chloroformic acid n-hexadeyl ester;BBA27290;MFCD00035954;NSC137911;AKOS015901909;C1053;FT-0638590;FORMIC ACID, CHLORO-, HEXADECYL ESTER;D89347;J-016360;Q27292789;Chloroformic acid n-hexadecyl ester pound>>Hexadecyl chloroformate

Chemical Property of Cetyl chloroformate

Chemical Property:

• Vapor Pressure: 1.4E-05mmHg at 25°C
• Melting Point: 14 °C
• Refractive Index: n20/D 1.4480(lit.)
• Boiling Point: 367.1 °C at 760 mmHg
• Flash Point: >110 ºC
• PSA: 26.30000
• Density: 0.923
• LogP: 6.84310
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 304.2169080
• Heavy Atom Count: 20
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Hexadecyl Chloroformate >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-43
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)Cl

Technology Process of Cetyl chloroformate

There total 6 articles about Cetyl 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: 83.0%

→ 4-hydroxyphenyl-4'-n-hexadecyloxycarbonylaminophenyl sulfide + cetyl chloroformate (26272-90-2)

Guidance literature:

Reference yield: 74.0%

1-Hexadecanol (36653-82-4,124-29-8) + bis(trichloromethyl) carbonate (32315-10-9) → cetyl chloroformate (26272-90-2)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 48h; Cooling with ice;

DOI:10.1246/bcsj.20160232

Reference yield:

phosgene (75-44-5) + 1-Hexadecanol (36653-82-4,124-29-8) → cetyl chloroformate (26272-90-2)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01522a046

upstream raw materials:

phosgene

1-Hexadecanol

bis(trichloromethyl) carbonate

Downstream raw materials:

2-Hexadecyloxycarbonylamino-3-phenyl-propionic acid

n-hexadecyl carbamate

2-hexadecyloxy-6-methyl-4-chloro-1-benzoxazin-4-one

Kohlensaeure-di-n-hexadecylester

Refernces

• 1、 Mrva, Martin,Bukovsky, Marián,Devínsky, Ferdinand,Garajová, Mária,Juhásová, Anna,Luká?, Milo?,Moj?i?, Ján,Moj?i?ová, Gabriela,Pisár?ik, Martin,Timko, Luká?. "Synthesis, physicochemical properties and biological activities of novel alkylphosphocholines with foscarnet moiety". . . Retrieved 2020/09/07.
• 2、 Hanabusa, Kenji,Takata, Shingo,Fujisaki, Masafumi,Nomura, Yasushi,Suzuki, Masahiro. "Fluorescent gelators for detection of explosives". . p. 1391 - 1401. Retrieved 2017/08/02.