621-00-1

Basic information

• Product Name: 1,3-di-p-tolylurea
• Synonyms: 1,3-di-p-tolylurea;4,4'-Dimethyldiphenyl urea;1,3-Bis(4-methylphenyl)urea;1,3-Bis(p-tolyl)urea;1,3-Di(4-methylphenyl)urea;N,N'-Di(p-tolyl)urea
• CAS NO: 621-00-1
• Molecular Formula: C₁₅H₁₆N₂O
• Molecular Weight: 240.30034
• EINECS: 210-664-5
• Mol File: 621-00-1.mol
• Article Data: 99

Chemical Properties

• Melting Point: 265 °C
• Boiling Point: 298.6±29.0 °C(Predicted)
• Appearance: /
• Density: 1.187±0.06 g/cm3(Predicted)
• PKA: 14.25±0.70(Predicted)
• CAS DataBase Reference: 1,3-di-p-tolylurea(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-di-p-tolylurea(621-00-1)
• EPA Substance Registry System: 1,3-di-p-tolylurea(621-00-1)

Safety Data

• Hazardous Substances Data: 621-00-1(Hazardous Substances Data)

Usage

General Description

1,3-di-p-tolylurea, also known as PTU, is a chemical compound with the molecular formula C17H18N2O. It is a white crystalline solid that is commonly used as a catalyst in organic synthesis and as an intermediate in the production of rubber chemicals. PTU is also used as a fungicide and herbicide in agricultural applications. It is soluble in organic solvents but practically insoluble in water. PTU has low acute toxicity, with no significant effects on skin, eye, or inhalation exposure. However, prolonged or repeated exposure may cause irritation to the respiratory tract and skin. Overall, 1,3-di-p-tolylurea is a versatile chemical compound with various industrial and agricultural applications.

Upstream product

• 3085-54-9 N-(4-methylphenyl)formamide 
• 622-51-5 p-tolylurea 
• 16001-28-8 N-4-methylphenyl isocyanodichloride 
• 370-88-7 p-tolyl-carbamoyl fluoride 
• 13911-43-8 1-p-Tolyl-biuret 
• 73901-66-3 N,N-di-p-tolyl-thiourea 
• 117514-26-8 N-acetyl-N'-p-tolyl-urea 
• 56-23-5 tetrachloromethane 
• 106-49-0 p-toluidine 
• 75-44-5 phosgene 
• 2597-54-8 ethyl acetylcarbamate 
• 4727-41-7 dimethylsulfonioacetate 
• 101-99-5 N-carboethoxyaniline 
• 96990-77-1 N,N-diphenyl-N'-p-tolyl-urea 

Downstream Products

• 84784-22-5 1,3-bis(4-tolyl)-1-nitrosourea 
• 2314-79-6 N-(p-tolyl)succinimide 
• 622-51-5 p-tolylurea 
• 93251-18-4 1,3 bis(4-methylphenyl)barbituric acid 
• 6911-92-8 3-nitro-N-(p-tolyl)benzamide 
• 106-49-0 p-toluidine 
• 726-42-1 di-p-tolylcarbodiimide 
• 103-71-9 phenyl isocyanate 
• 124-38-9 carbon dioxide 
• 47459-89-2 N,N',N''-tris(4-methylphenyl)guanidine 
• 33275-26-2 N-(4-methylphenyl)-O-phenyl carbamate 
• 929032-04-2 5,5-dibromo-1,3-di-p-tolyl-pyrimidine-2,4,6-trione 
• 6756-41-8 1-(4-methylphenylazo)naphthalen-2-ol 
• 144535-31-9 1,3-Di-p-tolyl-1H-pyrimido[4,5-b]quinoline-2,4-dione 

Relevant articles and documents

Di-tert-butyl peroxide (DTBP)-mediated synthesis of symmetrical N,N′-disubstituted urea/thiourea motifs from isothiocyanates in water

ABATRACT: A direct approach to N,N′-disubstituted urea/thiourea from the self-condensation reactions of isothiocyanates in water has been developed. This access tolerated a wide range of functional groups on the aromatic ring, providing a practical and environment-friendly process to N,N′-disubstituted urea/thiourea in moderate to excellent yields from safe and easily available starting materials. A plausible mechanism of the desulfurization self-condensation reaction for urea was also proposed and the role of di-tert-butyl peroxide (DTBP) and copper catalyst in the present strategy was demonstrated with the help of ESI mass spectrometry of intermediate studies.

Amide-assisted rearrangement of hydroxyarylformimidoyl chloride to diarylurea

A novel amide-assisted rearrangement reaction of hydroxybenzimidoyl chloride has been established for the efficient synthesis of 1,3-diphenylurea derivatives. A variety of electronically and sterically different 1,3-diphenylurea derivatives can be obtained in good to excellent yields, and a proposed reaction mechanism is also presented.

Preparation method of symmetric urea compound

The invention discloses a preparation method of a symmetric urea compound, which comprises the following steps: by using a hydroxamic acid compound as a raw material, sequentially adding an alkali anda solvent, reacting at 25-50 DEG C for 1-7 hours in an SO2F2 atmosphere, and carrying out aftertreatment on the reaction solution to obtain the symmetric urea compound. According to the invention, cheap, easily available and environment-friendly SO2F2 is used as an accelerant to efficiently promote the generation of an isocyanate intermediate to form a C-N bond. The generation of isocyanate avoids the use of a large amount of halogen or azide dangerous reagents, so that the compound can be used as a green substitute for standard treatment conditions in Curtius rearrangement and Hofmann rearrangement reactions. The amine source in the final product only comes from hydroxylamine, and no additional amine needs to be added, so that the substrate is wide in applicability, and the correspondingsymmetric urea compound can be obtained at a relatively good yield. The operation process is simple, the aftertreatment only needs filtering, and the method is suitable for large-scale preparation.