1,4-Butanediol, dicarbamate

Base Information

• Chemical Name: 1,4-Butanediol, dicarbamate
• CAS No.: 7119-55-3
• Molecular Formula: C6H12N2O4
• Molecular Weight: 176.172
• Hs Code.: 2924199090
• European Community (EC) Number: 230-422-2
• NSC Number: 240397
• UNII: B8LV33L6YU
• DSSTox Substance ID: DTXSID10221385
• Nikkaji Number: J64.632F
• Wikidata: Q83099128
• Mol file: 7119-55-3.mol

Synonyms:Butane-1,4-diyl dicarbamate;1,4-BUTANEDIOL, DICARBAMATE;7119-55-3;Carbamic acid, tetramethylene ester;EINECS 230-422-2;NSC 240397;BRN 1777721;NSC-240397;1,4-Butandiurethan;NSC240397;1,4-Butylene biscarbamate;1,4-Butanediol dicarbamate;B8LV33L6YU;SCHEMBL2746597;4-(carbamoyloxy)butyl carbamate;DTXSID10221385;1,4-Butanediol, 1,4-dicarbamate;LS-45819

Chemical Property of 1,4-Butanediol, dicarbamate

Chemical Property:

• Vapor Pressure: 9.08E-08mmHg at 25°C
• Boiling Point: 435°Cat760mmHg
• Flash Point: 271°C
• PSA: 104.64000
• Density: 1.241g/cm³
• LogP: 1.35780
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 176.07970687
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,4-Butanediol, dicarbamate

There total 7 articles about 1,4-Butanediol, dicarbamate 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: 54.0%

Butane-1,4-diol (110-63-4) + urea (57-13-6) → butane-1,4-diyl dicarbamate (7119-55-3)

Guidance literature:

With zinc monoglycerolate; In neat (no solvent); at 140 ℃; for 7h; under 30.003 Torr; Green chemistry;

DOI:10.1039/c5ra05032d

Reference yield:

1,4-butanediol bis(chloroformate) (2157-16-6) → butane-1,4-diyl dicarbamate (7119-55-3)

Guidance literature:

With ammonia;

DOI:10.1021/ja00986a025

Reference yield:

phosgene (75-44-5) + Butane-1,4-diol (110-63-4) → butane-1,4-diyl dicarbamate (7119-55-3)

Guidance literature:

und Umsetzen des Reaktionsprodukts mit wss.NH₃;

upstream raw materials:

phosgene

Butane-1,4-diol

acetic acid

cyanogen chloride

Refernces