1,3-Di-p-tolylcarbodiimide
1,3-Di-p-tolylcarbodiimide (CAS 726-42-1) is a valuable organic compound with the molecular formula CH₃C₆H₄N=C=NC₆H₄CH₃ and a molecular weight of 222.29 g/mol. This carbodiimide derivative serves as a key reactant in various organic syntheses, including the preparation of heterocyclic compounds such as benzimidazoles, quinazolines, and guanidines. It is also employed in coupling reactions and cycloadditions, making it a versatile reagent in synthetic chemistry.
- IUPAC
- N,N′-Methanetetraylbis[4-methyl]benzenamine,Bis(4-methylphenyl)carbodiimide,NSC 20627
- Synonyms
- CH3C6H4N=C=NC6H4CH3N,N′-Methanetetraylbis[4-methyl]benzenamineBis(4-methylphenyl)carbodiimideNSC 20627
Synthesis of Heterocyclic Compounds
1,3-Di-p-tolylcarbodiimide is utilised as a reactant for the synthesis of various nitrogen-containing heterocycles. This includes the formation of cyclic guanidines, benzimidazoles, and quinazolines through nucleophilic addition and intramolecular cyclisation processes.
Coupling Reactions
This compound finds application in cross-coupling reactions, contributing to the synthesis of functionalised benzoxazole and benzimidazole derivatives. Its reactivity facilitates the formation of new carbon-heteroatom bonds in complex molecular structures.
Ketene Cycloadditions
1,3-Di-p-tolylcarbodiimide acts as a reactant in ketene cycloaddition reactions. This reactivity allows for the construction of complex cyclic systems, expanding its utility in organic synthesis.
Preparation of Gem-Difluorodihydrouracil Derivatives
The compound is employed in addition reactions leading to the formation of gem-difluorodihydrouracil derivatives. This application highlights its role in the synthesis of fluorinated organic molecules.
| Molecular weight | 222.29 |
|---|---|
| Linear formula | CH3C6H4N=C=NC6H4CH3 |
| Assay | 96% |
| Boiling point | 221-223 °C/20 mmHg(lit.) |
| Storage temperature | 2-8°C |
| Application | Reactant for synthesis of:• Cyclic guanidines1• Five membered heterometallacycloallenes2• Benzimidazoles or quinazolines via nucleophilic addition and intramolecular C-C bond formation3• Benzoxazole and benzimidazole derivatives via cross-coupling reactions4• Gem-difluorodihydrouracil derivatives via addition reactions5Reactant for ketene cycloadditions6 |
| Melting point | 56-58 °C(lit.) |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-37/39 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 1,3-Di-p-tolylcarbodiimide used for?
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1,3-Di-p-tolylcarbodiimide is used as a reactant in the synthesis of cyclic guanidines, heterometallacycloallenes, benzimidazoles, quinazolines, benzoxazole derivatives, and gem-difluorodihydrouracil derivatives. It also participates in ketene cycloadditions and cross-coupling reactions.
What is the CAS number and molecular formula for 1,3-Di-p-tolylcarbodiimide?
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The CAS number is 726-42-1, and the molecular formula is CH₃C₆H₄N=C=NC₆H₄CH₃.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1,3-Di-p-tolylcarbodiimide with an assay of 96%. TSS does not represent this product as USP, BP, or EP grade.
How should 1,3-Di-p-tolylcarbodiimide be handled safely?
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Handle with appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves. Avoid breathing dust. It is harmful if swallowed, in contact with skin, or if inhaled, and causes skin and eye irritation.
How is 1,3-Di-p-tolylcarbodiimide stored and shipped?
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1,3-Di-p-tolylcarbodiimide should be stored at 2-8°C. It is supplied by TSS as a fine chemical for laboratory and industrial use and is exported globally.
How can I request a sample or quote for 1,3-Di-p-tolylcarbodiimide?
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To request a sample or obtain a quote, please contact our sales department through the TSS website or by telephone, providing the product name and CAS number.
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