Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)

Base Information

• Chemical Name: Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)
• CAS No.: 1431-54-5
• Molecular Formula: C33H32 N6 O9
• Molecular Weight: 656.652
• European Community (EC) Number: 215-855-7
• UNII: 70LTF622DN
• DSSTox Substance ID: DTXSID601101445
• Nikkaji Number: J298.618C
• Wikidata: Q27265868
• Mol file: 1431-54-5.mol

Synonyms:1431-54-5;70LTF622DN;Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate);2,2-bis[(3-isocyanato-4-methylphenyl)carbamoyloxymethyl]butyl N-(3-isocyanato-4-methylphenyl)carbamate;2-Ethyl-2-(((((3-isocyanato-4-methylphenyl)amino)carbonyl)oxy)methyl)propylene (3-isocyanato-4-methylphenyl)carbamate;2-ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]propylene (3-isocyanato-4-methy;EINECS 215-855-7;UNII-70LTF622DN;SCHEMBL10429314;DTXSID601101445;Q27265868;1,1,1-Propanetriyltrismethanol tris[(3-isocyanato-4-methylphenyl)carbamate];1,1,1-TRIS(3-ISOCYANATO-4-METHYLPHENYLCARBAMOYLOXYMETHYL)PROPANE;C,C'-[2-Ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]-1,3-propanediyl] bis[N-(3-isocyanato-4-methylphenyl)carbamate];CARBAMIC ACID, N-(3-ISOCYANATO-4-METHYLPHENYL)-, C,C'-(2-ETHYL-2-(((((3-ISOCYANATO-4-METHYLPHENYL)AMINO)CARBONYL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER

Chemical Property of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)

Chemical Property:

• Vapor Pressure: 1.42E-19mmHg at 25°C
• Boiling Point: 702.3°Cat760mmHg
• Flash Point: 378.6°C
• PSA: 203.28000
• Density: 1.28g/cm³
• LogP: 7.17500
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 16
• Exact Mass: 656.22307662
• Heavy Atom Count: 48
• Complexity: 1100

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(COC(=O)NC1=CC(=C(C=C1)C)N=C=O)(COC(=O)NC2=CC(=C(C=C2)C)N=C=O)COC(=O)NC3=CC(=C(C=C3)C)N=C=O

Technology Process of Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate)

There total 1 articles about Trimethylolpropane tris((3-isocyanato-4-methylphenyl)carbamate) 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: 67.8%

1,1,1-tri(hydroxymethyl)propane (77-99-6) + 2,4-Toluene diisocyanate (584-84-9,6144-18-9,26006-20-2) → 1,1,1-tris(hydroxymethyl)propane tris<(3-isocyanato-p-tolyl)carbamate> (1431-54-5)

Guidance literature:

at 60 ℃; for 0.166667h;

Reference yield:

1,1,1-tris(hydroxymethyl)propane tris<(3-isocyanato-p-tolyl)carbamate> (1431-54-5) → C30H38N6O6

Guidance literature:

1,1,1-tris(hydroxymethyl)propane tris<(3-isocyanato-p-tolyl)carbamate>; With benzyl chloroformate; sodium hydroxide; In water; N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

With 5%-palladium/activated carbon; hydrogen; at 26.84 ℃; for 0.5h; under 7500.75 Torr; Reagent/catalyst; Solvent; Temperature;

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

2,4-Toluene diisocyanate

Refernces

• 1、 Noskov, N. M.,Balabanov, G. P.,Dergunov, Yu. I.. "KINETICS OF INTERACTION OF 1,1,1-TRIS(HYDROXYMETHYL)PROPANE TRIS AND OF 2,4-TOLYLENE DIISOCYANATE WITH 1,1,1-TRIS(HYDROXYMETHYL)PROPANE". . p. 137 - 140. Retrieved 2007/10/02.