Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-methylpropyl) ester

Base Information

• Chemical Name: Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-methylpropyl) ester
• CAS No.: 71412-40-3
• Molecular Formula: C17H26N2O4
• Molecular Weight: 322.404
• DSSTox Substance ID: DTXSID90991776
• Nikkaji Number: J446.803A
• Wikidata: Q82981688
• Mol file: 71412-40-3.mol

Synonyms:71412-40-3;Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-methylpropyl) ester;Carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-bis(2-methylpropyl) ester;SCHEMBL12537832;DTXSID90991776;(4-Methyl-1,3-phenylene)bis(carbamic acid isobutyl) ester;Bis(2-methylpropyl) (4-methyl-1,3-phenylene)bis(hydrogen carbonimidate)

Chemical Property of Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-methylpropyl) ester

Chemical Property:

• Vapor Pressure: 2.04E-05mmHg at 25°C
• Boiling Point: 361.7°Cat760mmHg
• Flash Point: 172.5°C
• PSA: 83.64000
• Density: 1.133g/cm³
• LogP: 4.43120
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 322.18925731
• Heavy Atom Count: 23
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)OCC(C)C)NC(=O)OCC(C)C

Technology Process of Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-methylpropyl) ester

There total 3 articles about Carbamic acid, (4-methyl-1,3-phenylene)bis-, bis(2-methylpropyl) 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: 97.0%

diisobutyl carbonate (539-92-4) + 4-methylbenzene-1,3-diamine (95-80-7,71111-07-4) → N,N'-(4-methyl-m-phenylene)-bis-carbamic acid diisobutyl ester (71412-40-3)

Guidance literature:

With sodium isobutoxide; at 120 ℃; for 0.5h; Inert atmosphere;

Reference yield:

2-methyl-propan-1-ol (78-83-1) + 2,4-Toluene diisocyanate (584-84-9,6144-18-9,26006-20-2) → N,N'-(4-methyl-m-phenylene)-bis-carbamic acid diisobutyl ester (71412-40-3)

Guidance literature:

In chlorobenzene; at 40 - 47 ℃; for 0.5h; Product distribution / selectivity; Inert atmosphere;

Reference yield:

→ N,N'-(4-methyl-m-phenylene)-bis-carbamic acid diisobutyl ester (71412-40-3)

Guidance literature:

/BRN= 2765147/;

DOI:10.1021/jo01100a607

upstream raw materials:

diisobutyl carbonate

4-methylbenzene-1,3-diamine

2-methyl-propan-1-ol

2,4-Toluene diisocyanate

Downstream raw materials:

2,4-Toluene diisocyanate

2-methyl-propan-1-ol

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