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Name |
4-Pyridinemethanol, 1, 2, 3, 6-tetrahydro-1-methyl- |
EINECS | 252-894-9 |
CAS No. | 36166-75-3 | Density | 0.998 g/cm3 |
PSA | 23.47000 | LogP | 0.17850 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H13NO | Boiling Point | 214 °C at 760 mmHg |
Molecular Weight | 127.186 | Flash Point | 98.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(1-Methyl-1, 2, 3, 6-tetrahydropyridin-4-yl)methanol; |
Article Data | 4 |
The 4-Pyridinemethanol, 1, 2, 3, 6-tetrahydro-1-methyl-, with the CAS registry number 36166-75-3, is also known as (1-Methyl-1, 2, 3, 6-tetrahydropyridin-4-yl)methanol. Its EINECS registry number is 252-894-9. This chemical's molecular formula is C7H13NO and molecular weight is 127.18422. What's more, its IUPAC name is (1-Methyl-3, 6-dihydro-2H-pyridin-4-yl)methanol.
Physical properties about 4-Pyridinemethanol, 1, 2, 3, 6-tetrahydro-1-methyl- are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.01; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.9; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 37.16 cm3; (15)Molar Volume: 127.3 cm3; (16)Polarizability: 14.73×10-24 cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 0.998 g/cm3; (19)Flash Point: 98.6 °C; (20)Enthalpy of Vaporization: 52.37 kJ/mol; (21)Boiling Point: 214 °C at 760 mmHg; (22)Vapour Pressure: 0.0352 mmHg at 25°C.
Preparation of 4-Pyridinemethanol, 1, 2, 3, 6-tetrahydro-1-methyl-: this chemical is prepared by reaction of Iodomethane with 4-Pyridiylcarbinol. The reaction time is 30 minutes. The yield is about 92 %.
Uses of 4-Pyridinemethanol, 1, 2, 3, 6-tetrahydro-1-methyl-: it is used to produce other chemicals. For example, it is used to produce 1-[6-Bromo-5-(1-methyl-1, 2, 3, 6-tetrahydro-pyridin-4-ylmethoxy)-2, 3-dihydro-indol-1-yl]-ethanone. This reaction needs reagents 1-Acetyl-6-bromo-5-hydroxyindoline, Ph3P and DEAD. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 1 hour with reaction temperature of 32 °C. The yield is about 75 %.
You can still convert the following datas into molecular structure:
(1) SMILES: OC/C1=C/CN(C)CC1
(2) InChI: InChI=1/C7H13NO/c1-8-4-2-7(6-9)3-5-8/h2,9H,3-6H2,1H3
(3) InChIKey: XCZCVUOQSMDKQW-UHFFFAOYAP