Pentaerythritol tetracarbamate

Base Information

• Chemical Name: Pentaerythritol tetracarbamate
• CAS No.: 24794-44-3
• Molecular Formula: C9H16 N4 O8
• Molecular Weight: 308.25
• DSSTox Substance ID: DTXSID60885274
• Nikkaji Number: J422.143E
• Wikidata: Q82863888
• Mol file: 24794-44-3.mol

Synonyms:Pentaerythritol tetracarbamate;24794-44-3;1,3-Propanediol, 2,2-bis(((aminocarbonyl)oxy)methyl)-, 1,3-dicarbamate;1,3-Propanediol, 2,2-bis[[(aminocarbonyl)oxy]methyl]-, 1,3-dicarbamate;SCHEMBL4466598;DTXSID60885274;Dicarbamic acid 2,2-bis[[(aminocarbonyl)oxy]methyl]-1,3-propanediyl ester;1,3-Propanediol, 2,2-bis(((aminocarbonyl)oxy)methyl)-, dicarbamate (ester)

Chemical Property of Pentaerythritol tetracarbamate

Chemical Property:

• Vapor Pressure: 2.47E-23mmHg at 25°C
• Boiling Point: 765.4°C at 760 mmHg
• Flash Point: 445.1°C
• PSA: 209.28000
• Density: 1.497g/cm³
• LogP: 1.15520
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 308.09681348
• Heavy Atom Count: 21
• Complexity: 335

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentaerythritol tetracarbamate

There total 4 articles about Pentaerythritol tetracarbamate 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: 99.0%

isocyanate de chlorosulfonyle (1189-71-5) + Pentaerythritol (115-77-5) → pentaerythritol tetracarbamate (24794-44-3)

Guidance literature:

isocyanate de chlorosulfonyle; Pentaerythritol; In acetonitrile; at 0 - 20 ℃; for 1h;

With water; In acetonitrile; Cooling with ice;

DOI:10.1002/ejoc.201403265

Reference yield: 69.0%

Pentaerythritol (115-77-5) + urea (57-13-6) → pentaerythritol tetracarbamate (24794-44-3)

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:

Pentaerythritol (115-77-5) + acetonitrile (75-05-8,26809-02-9) → pentaerythritol tetracarbamate (24794-44-3)

Guidance literature:

Pentaerythritol; acetonitrile; With isocyanate de chlorosulfonyle; at 20 ℃; for 1h;

With water;

DOI:10.1021/acs.inorgchem.8b03540

upstream raw materials:

isocyanate de chlorosulfonyle

Pentaerythritol

urea

acetonitrile

Refernces

• 1、 Zhou, Shengren,Dong, Zhen,Yang, Rui,Wang, Xieyang,Ye, Zhiwen. "Structure-Property Relationships of ETNC and Its Salts Compared with PETNC and Its Salts". . p. 722 - 730. Retrieved 2021.
• 2、 Kulasegaram, Sanjitha,Shaheen, Uzma,Turney, Terence W.,Gates, Will P.,Patti, Antonio F.. "Zinc monoglycerolate as a catalyst for the conversion of 1,3- and higher diols to diurethanes". . p. 47809 - 47812. Retrieved 2015/06/16.