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Name
6,7-dihydro-2-methyl-5H-1-pyrindine
- EINECS 247-082-6
- CAS No. 25536-14-5
- Article Data8
- CAS DataBase
- Density 1.04 g/cm3
- Solubility
- Melting Point
- Formula C9H11N
- Boiling Point 203.7 °C at 760mmHg
- Molecular Weight 133.193
- Flash Point 66.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 5H-1-Pyrindine,6,7-dihydro-2-methyl-(6CI,7CI,8CI);2-Methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-Dihydro-2-methyl-5H-1-pyrindine;
- PSA 12.89000
- LogP 1.87870
5H-Cyclopenta[b]pyridine,6,7-dihydro-2-methyl- Specification
The 5H-Cyclopenta[b]pyridine,6,7-dihydro-2-methyl- with CAS registry number of 25536-14-5 is also called 6,7-Dihydro-2-methyl-5H-1-pyrindine. The IUPAC name is 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine. Its EINECS registry number is 247-082-6. In addition, the formula is C9H11N and the molecular weight is 133.1903.
Physical properties about 5H-Cyclopenta[b]pyridine,6,7-dihydro-2-methyl- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 1.35; (6)ACD/BCF (pH 7.4): 25.27; (7)ACD/KOC (pH 5.5): 17.4; (8)ACD/KOC (pH 7.4): 324.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 41.34 cm3; (15)Molar Volume: 128 cm3; (16)Polarizability: 16.38 ×10-24cm3; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 66.4 °C; (20)Enthalpy of Vaporization: 42.19 kJ/mol; (21)Boiling Point: 203.7 °C at 760 mmHg; (22)Vapour Pressure: 0.391 mmHg at 25°C.
Preparation of 5H-Cyclopenta[b]pyridine,6,7-dihydro-2-methyl-: it can be prepared by 6-methyl-2-pent-4-ynyl-3H-pyrimidin-4-one. The other two products are 2-Oxo-1,2-dihydro-cyclopentano[e]pyridin and 2-methyl-6-methylene-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one. This reaction will need various solvents. The reaction time is 2 hours by heating. The yield is about 53%.
![5H-Cyclopenta[b]pyridine,6,7-dihydro-2-methyl- can be prepared by 6-methyl-2-pent-4-ynyl-3H-pyrimidin-4-one. The other two products are 2-Oxo-1,2-dihydro-cyclopentano[e]pyridin and 2-methyl-6-methylene-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one](/UserFilesUpload/Preparation of 5H-Cyclopenta[b]pyridine,6,7-dihydro-2-methyl-(3).png)
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(ccc2c1CCC2)C
(2)InChI: InChI=1/C9H11N/c1-7-5-6-8-3-2-4-9(8)10-7/h5-6H,2-4H2,1H3
(3)InChIKey: HOAJAZVXWNQMOV-UHFFFAOYAW
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