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1-Butanone,1-(2-pyrazinyl)-

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Name

1-Butanone,1-(2-pyrazinyl)-

EINECS N/A
CAS No. 61892-81-7 Density 1.069 g/cm3
PSA 42.85000 LogP 1.45940
Solubility N/A Melting Point N/A
Formula C8H10N2O Boiling Point 245.8 °C at 760 mmHg
Molecular Weight 150.18 Flash Point 105.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 61892-81-7 (1-pyrazin-2-ylbutan-1-one) Hazard Symbols N/A
Synonyms

1-Butanone,1-pyrazinyl- (9CI);1-(Pyrazinyl)-1-butanone;NSC 245208;

Article Data 4

1-Butanone,1-(2-pyrazinyl)- Specification

The 1-Butanone,1-(2-pyrazinyl)- is an organic compound with the formula C8H10N2O. The IUPAC name of this chemical is 1-Pyrazin-2-ylbutan-1-one. With the CAS registry number 61892-81-7, it is also named as 1-(2-Pyrazinyl)-1-butanone. Besides, its molecular weight is 150.1778.

Physical properties about 1-Butanone,1-(2-pyrazinyl)- are: (1)ACD/LogP: 1.22; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 42.85 Å2; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 41.72 cm3; (7)Molar Volume: 140.4 cm3; (8)Polarizability: 16.54×10-24 cm3; (9)Surface Tension: 43.3 dyne/cm; (10)Density: 1.069 g/cm3; (11)Flash Point: 105.9 °C; (12)Enthalpy of Vaporization: 48.29 kJ/mol; (13)Boiling Point: 245.8 °C at 760 mmHg; (14)Vapour Pressure: 0.0281 mmHg at 25 °C.

Preparation: this chemical can be prepared by Pyrazine and 2-Oxo-valeric acid. This reaction will need reagents AgNO3, NH4S2O8, CF3COOH and solvents H2O and CH2Cl2. The reaction time is 2.5 hours with reaction temperature of 40 °C. The yield is about 74%.

1-Butanone,1-(2-pyrazinyl)- can be obtained by Pyrazine and 2-Oxo-valeric acid

Uses of 1-Butanone,1-(2-pyrazinyl)-: it can be used to produce 2-Methyl-1-pyrazin-2-yl-cyclopropanol and 1-Pyrazin-2-yl-ethanone. It will need reagents 2-Methyl-propan-2-ol and Benzene with reaction time of 4 hours. The yield is about 95%.

1-Butanone,1-(2-pyrazinyl)- can be used to produce 2-Methyl-1-pyrazin-2-yl-cyclopropanol and 1-Pyrazin-2-yl-ethanone

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nccnc1)CCC
(2)InChI: InChI=1/C8H10N2O/c1-2-3-8(11)7-6-9-4-5-10-7/h4-6H,2-3H2,1H3
(3)InChIKey: JYMZPEKUDHEXFN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H10N2O/c1-2-3-8(11)7-6-9-4-5-10-7/h4-6H,2-3H2,1H3
(5)Std. InChIKey: JYMZPEKUDHEXFN-UHFFFAOYSA-N

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