2-(α-Anilinobenzyl)-1-cyclohexanone supplier

Name
Cyclohexanone, 2-(a-anilinobenzyl)-
EINECS
CAS No. 737-47-3
Article Data66
CAS DataBase
Density 1.136 g/cm³
Solubility
Melting Point 114-115 °C
Formula C₁₉H₂₁NO
Boiling Point 440.7 °C at 760 mmHg
Molecular Weight 279.382
Flash Point 154 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[(Phenyl)(phenylamino)methyl]cyclohexanone;Cyclohexanone,2-(α-anilinobenzyl)- (7CI,8CI);2-[Phenyl(phenylamino)methyl]cyclohexanone;Cyclohexanone, 2-(α-anilinobenzyl)-;2-[Phenyl-(phenylamino)methyl]cyclohexan-1-one;NSC 123043;
PSA 29.10000
LogP 4.67210

2-(α-Anilinobenzyl)-1-cyclohexanone Specification

The Cyclohexanone, 2-[phenyl(phenylamino)methyl]-, with the CAS registry number 737-47-3, is also known as Cyclohexanone, 2-(α-anilinobenzyl)-. This chemical's molecular formula is C₁₉H₂₁NO and molecular weight is 279.38. What's more, its systematic name is 2-[phenyl(phenylamino)methyl]cyclohexanone.

Physical properties of Cyclohexanone, 2-[phenyl(phenylamino)methyl]- are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 20.31 Å²; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 86.15 cm³; (9)Molar Volume: 245.8 cm³; (10)Polarizability: 34.15×10^-24cm³; (11)Surface Tension: 51.2 dyne/cm; (12)Density: 1.136 g/cm³; (13)Flash Point: 154 °C; (14)Enthalpy of Vaporization: 69.79 kJ/mol; (15)Boiling Point: 440.7 °C at 760 mmHg; (16)Vapour Pressure: 5.76E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclohexanone, benzaldehyde and aniline at the temperature of 23 °C. This reaction will need reagent DBSA and solvent H₂O with the reaction time of 1 hour. It is a reaction of Mannich reaction. The yield is about 97%.

Cyclohexanone, 2-[phenyl(phenylamino)methyl]- can be prepared by cyclohexanone, benzaldehyde, aniline at the temperature of 23 °C

Uses of Cyclohexanone, 2-[phenyl(phenylamino)methyl]-: it can be used to produce 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile at the temperature of 50 °C. It will need reagent piperidine with the reaction time of 24 hours. The yield is about 70%.

Cyclohexanone, 2-[phenyl(phenylamino)methyl]- can be used to produce 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile at the temperature of 50 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1C(Nc2ccccc2)c3ccccc3
(2)InChI: InChI=1S/C19H21NO/c21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12,17,19-20H,7-8,13-14H2
(3)InChIKey: ITYLIHBJQIGSFJ-UHFFFAOYSA-N

Product Name

Cyclohexanone, 2-(a-anilinobenzyl)-

2-(α-Anilinobenzyl)-1-cyclohexanone Specification

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