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70391-31-0

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Basic Information
CAS No.: 70391-31-0
Name: 1-(4-Methoxybenzoyl)-1,2-dihydroquinoline-2-carbonitrile
Molecular Structure:
Molecular Structure of 70391-31-0 (1-(4-Methoxybenzoyl)-1,2-dihydroquinoline-2-carbonitrile)
Formula: C18H14N2O2
Molecular Weight: 290.32
Synonyms: 1-(4-Methoxybenzoyl)-1,2-dihydro-2-quinolinecarbonitrile;
Density: 1.28 g/cm3
Boiling Point: 524 °C at 760 mmHg
Flash Point: 270.7 °C
PSA: 53.33000
LogP: 3.32598
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Specification

The 2-Quinolinecarbonitrile, 1,2-dihydro-1-(4-methoxybenzoyl)-, with the CAS registry number 70391-31-0, is also known as 1-(4-Methoxybenzoyl)-1,2-dihydro-2-quinolinecarbonitrile. This chemical's molecular formula is C18H14N2O2 and molecular weight is 290.32. What's more, its systematic name is 1-(4-methoxybenzoyl)-1,2-dihydroquinoline-2-carbonitrile.

Physical properties of 2-Quinolinecarbonitrile, 1,2-dihydro-1-(4-methoxybenzoyl)- are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 53.33 Å2; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 82.75 cm3; (9)Molar Volume: 226.1 cm3; (10)Polarizability: 32.8×10-24cm3; (11)Surface Tension: 60.8 dyne/cm; (12)Density: 1.28 g/cm3; (13)Flash Point: 270.7 °C; (14)Enthalpy of Vaporization: 79.78 kJ/mol; (15)Boiling Point: 524 °C at 760 mmHg; (16)Vapour Pressure: 4.47E-11 mmHg at 25°C.

Uses of 2-Quinolinecarbonitrile, 1,2-dihydro-1-(4-methoxybenzoyl)-: it can be used to produce (2RS,3SR,4RS)-2-cyano-3,4-epoxy-1-(4-methoxybenzoyl)-1,2,3,4-tetrahydroquinoline at the ambient temperature. It will need reagent m-chloroperoxybenzoic acid and solvent CH2Cl2. The yield is about 75%.

2-Quinolinecarbonitrile, 1,2-dihydro-1-(4-methoxybenzoyl)- can be used to produce (2RS,3SR,4RS)-2-cyano-3,4-epoxy-1-(4-methoxybenzoyl)-1,2,3,4-tetrahydroquinoline at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC3/C=C\c1c(cccc1)N3C(=O)c2ccc(OC)cc2
(2)InChI: InChI=1S/C18H14N2O2/c1-22-16-10-7-14(8-11-16)18(21)20-15(12-19)9-6-13-4-2-3-5-17(13)20/h2-11,15H,1H3
(3)InChIKey: WUJAMDNMCMEVOJ-UHFFFAOYSA-N