ChemicalBook--->CAS DataBase List--->726-42-1

726-42-1

726-42-1 Structure

726-42-1 Structure
IdentificationBack Directory
[Name]

1,3-DI-P-TOLYLCARBODIIMIDE
[CAS]

726-42-1
[Synonyms]

SKL424
NSC 20627
di-p-tolylcarbodiimide
DI-P-TOLY CARBODIIMIDE
Bis(p-tolyl)carbodiimide
DI-PARA-TOLYLCARBODIIMIDE
N,N'-DI-P-TOLYLCARBODIMIDE
1,3-DI-P-TOLYLCARBODIIMIDE
N,N'-DI-P-TOLYLCARBODIIMIDE
1,3-Bis(p-tolyl)carbodiimide
N,N'-Bis(p-tolyl)carbodiimide
1,3-Di-p-tolylcarbodiimide 96%
Bis(4-methylphenyl)carbodiimide
N,N'-bis(4-methylphenyl)methanediimine
N,N′-Methanetetraylbis[4-methyl]benzenamine
Benzenamine, N,N'-methanetetraylbis[4-methyl-
(4-methylphenyl)-[(4-methylphenyl)iminomethylene]amine
[EINECS(EC#)]

211-971-7
[Molecular Formula]

C15H14N2
[MDL Number]

MFCD00010701
[MOL File]

726-42-1.mol
[Molecular Weight]

222.29
Chemical PropertiesBack Directory
[Melting point ]

56-58 °C (lit.)
[Boiling point ]

221-223 °C/20 mmHg (lit.)
[density ]

1.1500
[refractive index ]

1.5000 (estimate)
[storage temp. ]

2-8°C
[solubility ]

soluble in diethyl ether, benzene, pyridine, t-butanol
[form ]

powder
[Appearance]

Off-white crystalline solid.
[Major Application]

peptide synthesis
[InChI]

1S/C15H14N2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,1-2H3
[InChIKey]

BOSWPVRACYJBSJ-UHFFFAOYSA-N
[SMILES]

Cc1ccc(cc1)N=C=Nc2ccc(C)cc2
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Reactant for synthesis of:
  • Cyclic guanidines
  • Five membered heterometallacycloallenes
  • Benzimidazoles or quinazolines via nucleophilic addition and intramolecular C-C bond formation
  • Benzoxazole and benzimidazole derivatives via cross-coupling reactions
  • Gem-difluorodihydrouracil derivatives via addition reactions

Reactant for ketene cycloadditions
[Definition]

ChEBI: A carbodiimide compound having a 4-methylphenyl substituent on both nitrogen atoms.
[reaction suitability]

reaction type: Coupling Reactions
[Synthesis]

Although tolyl carbodiimide is commercially available, it is quite expensive. It can be conveniently prepared from tolyl thiourea by oxidation with Mercury(II) Oxide, Triphenylphosphine in the presence of Diethyl Azaodicarboxylate, or mercury(II) benzamide. A synthetic method of dimerizing p-tolyl isocyanate has been reported.
[Precautions]

Harmful inhalation, ingestion, skin absorption, and exposure causes strong eye and lung irritation. The solid is light- and moisture-sensitive and should be refrigerated in dark, well-sealed containers under an inert atmosphere. It should be used in a fume hood.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DI-P-TOLYLCARBODIIMIDE(726-42-1)MS
1,3-DI-P-TOLYLCARBODIIMIDE(726-42-1)1HNMR
1,3-DI-P-TOLYLCARBODIIMIDE(726-42-1)IR1
1,3-DI-P-TOLYLCARBODIIMIDE(726-42-1)IR2
1,3-DI-P-TOLYLCARBODIIMIDE(726-42-1)Raman
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