Di-o-tolylcarbodiimide

Base Information

• Chemical Name: Di-o-tolylcarbodiimide
• CAS No.: 1215-57-2
• Molecular Formula: C15H14 N2
• Molecular Weight: 222.29
• Hs Code.: 2921590090
• European Community (EC) Number: 214-929-6
• DSSTox Substance ID: DTXSID50883668
• Nikkaji Number: J217.065E
• Mol file: 1215-57-2.mol

Synonyms:di-o-tolylcarbodiimide;1215-57-2;Di-(o-tolyl)carbodiimide;N,N'-Methanetetrayldi-o-toluidine;Bis(o-tolylcarbodiimide);EINECS 214-929-6;N,N'-Methanediylidenebis(2-methylaniline);Benzenamine, N,N'-methanetetraylbis(2-methyl-;Benzenamine, N,N'-methanetetraylbis[2-methyl-;n,n'-bis(2-methylphenyl)carbodiimide;di-o-tolyl-carbodiimide;SCHEMBL437747;di-(2methylphenyl)carbodiimide;DTXSID50883668;N,N'-Di(2-methylphenyl)carbodiimide;N,N/'-bis(2-methylphenyl)methanediimine;(2-methylphenyl)-(2-methylphenylimino-methylene)-amine

Chemical Property of Di-o-tolylcarbodiimide

Chemical Property:

• Vapor Pressure: 1.08E-05mmHg at 25°C
• Boiling Point: 381.9°Cat760mmHg
• Flash Point: 177.1°C
• PSA: 24.72000
• Density: 0.98g/cm³
• LogP: 4.44050
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.115698455
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

DI-ORTHO-TOLYLCARBODIIMIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N=C=NC2=CC=CC=C2C

Technology Process of Di-o-tolylcarbodiimide

There total 11 articles about Di-o-tolylcarbodiimide 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%

→ N,N'-bis(o-methylphenyl)carbodiimide (1215-57-2)

Guidance literature:

With cyclopentadienyl iron(II) dicarbonyl dimer; In tetrahydrofuran; at 60 ℃; for 24h; Reagent/catalyst; Inert atmosphere;

Reference yield: 95.0%

N,N'-di(o-tolyl)thiourea (137-97-3) → N,N'-bis(o-methylphenyl)carbodiimide (1215-57-2)

Guidance literature:

With dicarbonyl(cyclopentadienyl)methyliron(II); Triethoxysilane; In tetrahydrofuran; at 60 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c3dt50996f

Reference yield: 90.0%

2-tolyl isocyanate (614-68-6) → N,N'-bis(o-methylphenyl)carbodiimide (1215-57-2)

Guidance literature:

chlorodiphenylarsine; In benzene; for 3h; Heating;

DOI:10.1021/jo00172a044

upstream raw materials:

S-ethyl-N,N'-di-o-tolyl-isothiourea

N,N-di-o-tolylthiourea

S-methyl-N,N'-di-o-tolyl-isothiourea

N,N'-di(o-tolyl)thiourea

Downstream raw materials:

N-hydroxy-N-methyl-N',N''-di-o-tolyl-guanidine

4-Amino-N-(bis-o-tolylamino-methylene)-benzenesulfonamide

N-(3-o-tolyl-4-o-tolylimino-[1,3]thiazetidin-2-ylidene)-toluene-4-sulfonamide

2-(1,4-Diphenyl-6-thioxo-1,6-dihydro-[1,3,5]triazin-2-yl)-1,3-di-o-tolyl-isothiourea; hydrochloride

Refernces

• 1、 Fujinami,T. et al.. "-". . p. 889 - 890. Retrieved 1977.
• 2、 Smith, Curtis P.,Temme, George H.. "Polystyrene-Supported Carbodiimide Catalysts". . p. 4681 - 4685. Retrieved 1983.
• 3、 -. "A method of manufacturing a carbodiimide compound". Paragraph 0058; 0059; 0062; 0063. . Retrieved 2018/03/02.
• 4、 He, Hua-Feng,Wang, Zhi-Jing,Bao, Weiliang. "Copper(II) acetate/oxygen-mediated nucleophilic addition and intramolecular C-H activation/C-N or C-C bond formation: One-pot synthesis of benzimidazoles or quinazolines". supporting information; experimental part. p. 2905 - 2912. Retrieved 2010/12/29.