Carbonochloridic acid, 1,4-butanediyl ester

Base Information

• Chemical Name: Carbonochloridic acid, 1,4-butanediyl ester
• CAS No.: 2157-16-6
• Deprecated CAS: 53488-88-3
• Molecular Formula: C6H8 Cl2 O4
• Molecular Weight: 215.033
• Hs Code.: 2915900090
• European Community (EC) Number: 218-466-0
• DSSTox Substance ID: DTXSID0062216
• Nikkaji Number: J299.122E
• Wikidata: Q81989911
• Mol file: 2157-16-6.mol

Synonyms:2157-16-6;1,4-Butanediol bis(chloroformate);butane-1,4-diyl dicarbonochloridate;Carbonochloridic acid, 1,4-butanediyl ester;4-carbonochloridoyloxybutyl carbonochloridate;Tetramethylene bis(chloroformate);Butanediol bischloroformate;SCHEMBL336619;DTXSID0062216;1,4-Butanediol di(chloroformate);butane-1,4-diyldicarbonochloridate;CAA15716;EINECS 218-466-0;MFCD00037025;AKOS037643682;AS-30249;Carbonochloridic acid, C,C'-1,4-butanediyl ester;4-[(CHLOROCARBONYL)OXY]BUTYL CARBONOCHLORIDATE

Chemical Property of Carbonochloridic acid, 1,4-butanediyl ester

Chemical Property:

• Vapor Pressure: 0.0328mmHg at 25°C
• Refractive Index: n20/D 1.4530(lit.)
• Boiling Point: 243°Cat760mmHg
• Flash Point: 98.8°C
• PSA: 52.60000
• Density: 1.366g/cm³
• LogP: 2.51740
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 213.9799641
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

1,4-BUTANEDIOL BIS-(CHLOROFORMATE) 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCOC(=O)Cl)COC(=O)Cl

Technology Process of Carbonochloridic acid, 1,4-butanediyl ester

There total 2 articles about Carbonochloridic acid, 1,4-butanediyl ester 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:

phosgene (75-44-5) + Butane-1,4-diol (110-63-4) → 1,4-butanediol bis(chloroformate) (2157-16-6)

Guidance literature:

In benzene;

DOI:10.1039/j39660000346

Reference yield:

→ 1,4-butanediol bis(chloroformate) (2157-16-6)

Guidance literature:

1,4-Butandiol, Phosgen;

Reference yield: 91.0%

1,4-butanediol bis(chloroformate) (2157-16-6) → 1,4-dichlorobutane (110-56-5)

Guidance literature:

With hexabutylguanidinium chloride; at 120 ℃; for 4h;

DOI:10.1081/SCC-100000525

upstream raw materials:

phosgene

Butane-1,4-diol

Downstream raw materials:

1,4-bis-(4-carboxy-phenylcarbamoyloxy)-butane

C₂₂H₂₈N₆O₁₀S₂

C₂₂H₂₀I₆N₄O₈

butane-1,4-diyl dicarbamate

Refernces

• 1、 Violleau,Thiebaud,Borredon,Le Gars. "A safe and efficient procedure to prepare alkyl and alkoxyalkyl chlorides and dichlorides by catalytic decomposition of the corresponding alkyl and alkoxyalkyl chloroformates and bischloroformates with hexabutylguanidinium chloride". . p. 367 - 373. Retrieved 2007/10/03.