1142804-87-2

Basic information

• Product Name: 2-(1,3-dimethyltetrahydropyrimidin-2(1H)-ylidene)-N⁽¹⁾,N⁽³⁾-di-p-tolyl-N⁽¹⁾-(p-tolylcarbamoyl)malonamide
• CAS NO: 1142804-87-2
• Molecular Weight: 525.651
• Mol File: 1142804-87-2.mol

Chemical Properties

• CAS DataBase Reference: 2-(1,3-dimethyltetrahydropyrimidin-2(1H)-ylidene)-N⁽¹⁾,N⁽³⁾-di-p-tolyl-N⁽¹⁾-(p-tolylcarbamoyl)malonamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1,3-dimethyltetrahydropyrimidin-2(1H)-ylidene)-N⁽¹⁾,N⁽³⁾-di-p-tolyl-N⁽¹⁾-(p-tolylcarbamoyl)malonamide(1142804-87-2)
• EPA Substance Registry System: 2-(1,3-dimethyltetrahydropyrimidin-2(1H)-ylidene)-N⁽¹⁾,N⁽³⁾-di-p-tolyl-N⁽¹⁾-(p-tolylcarbamoyl)malonamide(1142804-87-2)

Safety Data

• Hazardous Substances Data: 1142804-87-2(Hazardous Substances Data)

Upstream product

• 1142804-82-7 2-(1,3-dimethyltetrahydropyrimidin-2(1H)-ylidene)-N⁽¹⁾,N⁽³⁾-di-p-tolylmalonamide 
• 622-58-2 p-Tolylisocyanate 

Relevant articles and documents

Push-pull alkenes by reacting N,N′-dimethyl cyclic ketene N,N′-acetals with isocyanates: synthesis, structures, and reactivities

N,N′-Dimethyl cyclic ketene N,N′-acetals react with two or three equivalents of isocyanates to generate tetrasubstituted push-pull alkene derivatives in one-pot sequential reactions. X-ray crystallography showed significant elongations and out of plane distorsions of the polarized carbon-carbon double bonds.

Push-pull alkenes from cyclic ketene-N,N′-acetals: a wide span of double bond lengths and twist angles

Push-pull alkenes can be quickly accessed by cyclic ketene-N,N′-acetal chemistry. A number of push-pull structures with a wide span of double bond lengths and twist angles were synthesized from the reactions of (1) N,N′-dimethyl cyclic ketene-N,N′-acetals with isocyanates, (2) the products from (1) with isocyanates, (3) 2-methylimidazoline and 2-methyl-1,4,5,6-tetrahydropyrimidine with diacid chlorides, (4) 2-methylimidazoline, and 1,2-dimethyl-1,4,5,6-tetrahydropyrimidine with benzoyl chlorides, and (5) 1,2-dimethylimidazoline and 1,2-dimethyl-1,4,5,6-tetrahydropyrimidine with aryl isocyanates. These reactions proceed under very mild conditions and give moderate to excellent yields. X-ray crystallographic analysis of eight pxush-pull alkenes indicates that the central double bond lengths and twists are sensitive to the ring sizes (5 or 6), ring structures (fused or non-fused), electron donating and withdrawing strengths of pushing and pulling portions, respectively, number of electron pushing or pulling groups and substituent steric effects.