Decyl chloroformate

Base Information

• Chemical Name: Decyl chloroformate
• CAS No.: 55488-51-2
• Molecular Formula: C11H21 Cl O2
• Molecular Weight: 220.74
• Hs Code.: 2915900090
• European Community (EC) Number: 259-668-9
• DSSTox Substance ID: DTXSID40204065
• Nikkaji Number: J57.773A
• Wikidata: Q83077520
• Mol file: 55488-51-2.mol

Synonyms:Decyl chloroformate;55488-51-2;decyl carbonochloridate;chloro(decyloxy)methanone;chloroformic acid n-decyl ester;Carbonochloridic acid, decyl ester;EINECS 259-668-9;Chloroformic Acid Decyl Ester;n-decylchloroformate;decanyl chloroformate;decylcarbonochloridate;n-decyl chloroformate;dec-1-yl chlorocarbonate;Decyl chloroformate, 97%;SCHEMBL874557;AMY4023;DTXSID40204065;CHLOROFORMICACIDN-DECYLESTER;MFCD00126853;AKOS015915579;AS-81545;D89397;F8880-1752

Chemical Property of Decyl chloroformate

Chemical Property:

• Vapor Pressure: 0.0084mmHg at 25°C
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 226-227 °C(lit.)
• Flash Point: >230 °F
• PSA: 26.30000
• Density: 0.956 g/mL at 25 °C(lit.)
• LogP: 4.50250
• Storage Temp.: 2-8°C
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 220.1230076
• Heavy Atom Count: 14
• Complexity: 137

Purity/Quality:

98%,99%, ^*data from raw suppliers

DecylCarbonochloridate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCOC(=O)Cl
• Uses: Decyl chloroformate may be used in the preparation of (S)-(+)-N-decoxycarbonyl-leucine, a chiral surfactant. It may also be used to synthesize decyl chloride via decarboxylation in the presence of dimethylformamide.

Technology Process of Decyl chloroformate

There total 3 articles about Decyl 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: 80.0%

phosgene (75-44-5) + 1-Decanol (112-30-1) → n-decyl chloroformate (55488-51-2)

Guidance literature:

With triethylamine; In chloroform;

DOI:10.1002/jps.2600771115

Reference yield: 65.0%

1-Decanol (112-30-1) + bis(trichloromethyl) carbonate (32315-10-9) → n-decyl chloroformate (55488-51-2)

Guidance literature:

bis(trichloromethyl) carbonate; With potassium carbonate; N,N-dimethyl-formamide; In toluene; at 0 ℃; for 0.5h; Inert atmosphere;

1-Decanol; In toluene; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00271

Reference yield:

→ n-decyl chloroformate (55488-51-2)

Guidance literature:

entspr. Alkohol, COCl2;

upstream raw materials:

phosgene

1-Decanol

bis(trichloromethyl) carbonate

Downstream raw materials:

di-decyl peroxydicarbonate

decyl phosphinate

S₁₀-L-Phe-L-His-OH

Refernces

• 1、 Wong,Hungtington,Konishi,Rytting,Higuchi. "Unsaturated cyclic ureas as new nontoxic biodegradable transdermal penetration enhancers I: Synthesis". . p. 967 - 971. Retrieved 2007/10/02.