sec-Butyl chloroformate

Base Information

• Chemical Name: sec-Butyl chloroformate
• CAS No.: 17462-58-7
• Deprecated CAS: 56516-00-8
• Molecular Formula: C5H9ClO2
• Molecular Weight: 136.578
• Hs Code.: 2915900090
• European Community (EC) Number: 241-475-6
• UN Number: 2742,2742 (sec-Butyl chloroformate)
• DSSTox Substance ID: DTXSID4051794
• Nikkaji Number: J268.174I
• Wikidata: Q72507239
• Mol file: 17462-58-7.mol

Synonyms:Formicacid, chloro-, sec-butyl ester (6CI,8CI);But-2-yl chloroformate;Chloroformicacid sec-butyl ester;

Chemical Property of sec-Butyl chloroformate

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 8.236mmHg at 25°C
• Melting Point: -70oC
• Refractive Index: 1.417
• Boiling Point: 134.044 °C at 760 mmHg
• Flash Point: 35.842 °C
• PSA: 26.30000
• Density: 1.081 g/cm³
• LogP: 2.16030
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 136.0291072
• Heavy Atom Count: 8
• Complexity: 82.5
• Transport DOT Label: Poison Corrosive Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OC(=O)Cl

Technology Process of sec-Butyl chloroformate

There total 4 articles about sec-Butyl 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: 90.0%

bis(trichloromethyl) carbonate (32315-10-9) + iso-butanol (78-92-2,15892-23-6) → isobutyl chloroformate (17462-58-7)

Guidance literature:

bis(trichloromethyl) carbonate; iso-butanol; With pyridine; In tetrahydrofuran; at 0 - 5 ℃; for 1h; Inert atmosphere;

With sodium hydroxide; In tetrahydrofuran; at 0 - 15 ℃; Solvent; Temperature; Reagent/catalyst;

Reference yield: 87.0%

→ isobutyl chloroformate (17462-58-7)

Guidance literature:

Reference yield:

phosgene (75-44-5) + iso-butanol (78-92-2,15892-23-6) → isobutyl chloroformate (17462-58-7)

Guidance literature:

upstream raw materials:

phosgene

iso-butanol

bis(trichloromethyl) carbonate

Downstream raw materials:

[(S)-2-oxo-1-(toluene-4-sulfonyl)-pyrrolidin-3-yl]-carbamic acid benzyl ester

phenylcarbamic acid sec-butyl ester

N-({N²-[N-(toluene-4-sulfonyl)-L-pyroglutamyl]-L-glutaminyl})-L-alanine-benzyl ester

phenoxyacetyl 1-methyl-1-propyl carbonate

Refernces

• 1、 -. "Synthesis and application of nitenpyram acyl derivative (by machine translation)". Paragraph 0009; 0015-0016. . Retrieved 2020/12/08.
• 2、 Chang, Jun,Hao, Xiao-Dong,Hao, Yun-Peng,Lu, Hong-Fu,Yu, Jian-Ming,Sun, Xun. "Design, synthesis and cytotoxicity of novel 3′-N-alkoxycarbonyl docetaxel analogs". . p. 6834 - 6837. Retrieved 2014/01/06.