726-42-1

Basic information

• Product Name: 1,3-DI-P-TOLYLCARBODIIMIDE
• Synonyms: N,N'-DI-P-TOLYLCARBODIIMIDE;N,N'-DI-P-TOLYLCARBODIMIDE;1,3-DI-P-TOLYLCARBODIIMIDE;di-p-tolylcarbodiimide;DI-PARA-TOLYLCARBODIIMIDE;DI-P-TOLY CARBODIIMIDE;1,3-Bis(p-tolyl)carbodiimide;Bis(4-methylphenyl)carbodiimide
• CAS NO: 726-42-1
• Molecular Formula: C₁₅H₁₄N₂
• Molecular Weight: 222.29
• EINECS: 211-971-7
• Product Categories: Carbodiimides;CarbodiimidesSynthetic Reagents;Coupling;Peptide Synthesis
• Mol File: 726-42-1.mol
• Article Data: 25

Chemical Properties

• Melting Point: 56-58 °C(lit.)
• Boiling Point: 221-223 °C20 mm Hg(lit.)
• Flash Point: 173.8°C
• Appearance: /
• Density: 1.1500
• Vapor Pressure: 4.28E-05mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1,3-DI-P-TOLYLCARBODIIMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-DI-P-TOLYLCARBODIIMIDE(726-42-1)
• EPA Substance Registry System: 1,3-DI-P-TOLYLCARBODIIMIDE(726-42-1)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 726-42-1(Hazardous Substances Data)

Usage

Uses

Reactant for synthesis of:Cyclic guanidinesFive membered heterometallacycloallenesBenzimidazoles or quinazolines via nucleophilic addition and intramolecular C-C bond formationBenzoxazole and benzimidazole derivatives via cross-coupling reactionsGem-difluorodihydrouracil derivatives via addition reactionsReactant for ketene cycloadditions

Definition

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

InChI:InChI=1/C15H14N2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,1-2H3

Upstream product

• 112178-80-0 3-p-tolyl-4-p-tolylimino-[1,3]thiazetidinone 
• 40746-60-9 5-methyl-1-(4-methylphenyl)-1H-tetrazole 
• 33904-05-1 2,2′-diisothiocyanato-1,1′-biphenyl 
• 2327-67-5 N-(p-tolyl)-P,P,P-triphenylphosphine imide 
• 67-64-1 acetone 
• 621-01-2 N,N'-Bis(p-tolyl)thiourea 
• 75102-51-1 (C₅H₅)2V(CH₃C₆H₄NCNC₆H₄CH₃) 
• 10076-13-8 N,N'-bis(4-methoxyphenyl)carbodiimide 
• 454253-18-0 [(pentamethylcyclopentadienyl)Ir((p-tolyl)NC(N-p-tolyl)N(p-tolyl))] 
• 119-61-9 benzophenone 
• 622-58-2 p-Tolylisocyanate 
• 1454-80-4 1,1'-biphenyl-2,2'-diamine 
• 546-68-9 titanium(IV)isopropoxide 
• 103-71-9 phenyl isocyanate 

Downstream Products

• 855182-73-9 N-benzoyl-N,N'-di-p-tolyl-urea 
• 1087-99-6 3-(4-methylphenyl)quinazoline-2,4(1H,3H)-dione 
• 83318-15-4 N-(4-methylphenyl)-1H-benzo[d]imidazol-2-amine 
• 855179-98-5 1-(3-phenyl-propynoyl)-1,3-di-p-tolyl-urea 
• 115037-68-8 (3-phenyl-4-p-tolyl-4H-[1,2,4]oxadiazol-5-ylidene)-p-tolyl-amine 
• 52770-76-0 O-Octyl-N,N'-di-p-tolylisoharnstoff 
• 38171-24-3 O-allyl-N,N'-di-p-tolyl-isourea 
• 25977-50-8 N,N’-di-p-tolyl-O-isopropylisourea 
• 37986-22-4 C₁₇H₁₉ClN₂O 
• 37986-23-5 p-tolyl-(3-p-tolyl-oxazolidin-2-ylidene)-amine 

Relevant articles and documents

Catalytic Imido-Transfer Reactions of Well-Defined Silica-Supported Titanium Imido Complexes Prepared via Surface Organometallic Chemistry

We expand the series of well-defined silica-supported titanium imido complexes of general formula (SiO)Ti(═NtBu)X(py)n prepared via surface organometallic chemistry in order to analyze the effect of the X ligand on their catalytic properties. Two new surface complexes, (SiO)Ti(═NtBu)Cl(py)2 (2s) and (SiO)Ti(═NtBu)Cp(py) (3s), have been prepared and characterized with physicochemical techniques, and their performance in oxo/imido heterometathesis and other catalytic imido-transfer reactions has been studied and compared to that of the previously reported catalyst (SiO)Ti(═NtBu)(Me2Pyr)(py)2 (1s; Me2Pyr = 2,5-dimethylpyrrolyl).

RE[N(SiMe3)2]3-Catalyzed Guanylation/Cyclization of Amino Acid Esters and Carbodiimides

The example of rare-earth metal-catalyzed guanylation/cyclization of amino acid esters and carbodiimides is well-established, forming 4(3H)-2-alkylaminoquinazolinones in 65-96% yields. The rare-earth metal amides RE[N(TMS)2]3 (RE = Y, Yb, Nd, Sm, La; TMS = SiMe3) showed high activities, and La[N(TMS)2]3 performed best for a wide scope of the substrates.

A method of manufacturing a carbodiimide compound

PROBLEM TO BE SOLVED: To provide a novel method that can efficiently produce a carbodiimide compound without using substances that are harmful, hazardous, expensive, or difficult to obtain.SOLUTION: The method of producing a carbodiimide compound includes converting a thiourea compound having a specific structure to a carbodiimide compound having a specific structure in the presence of at least one of an iron compound and a molybdenum compound.