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4-Pyridinemethanol, 1, 2, 3, 6-tetrahydro-1-methyl-

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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 Molecular Structure of 36166-75-3 (1,2,3,6-tetrahydro-1-methylpyridine-4-methanol) Hazard Symbols N/A
Synonyms

(1-Methyl-1, 2, 3, 6-tetrahydropyridin-4-yl)methanol;

Article Data 4

4-Pyridinemethanol, 1, 2, 3, 6-tetrahydro-1-methyl- Specification

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 %.

The 4-Pyridinemethanol, 1, 2, 3, 6-tetrahydro-1-methyl- can be obtained by Iodomethane and 4-Pyridiylcarbinol.

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 %.

4-Pyridinemethanol, 1, 2, 3, 6-tetrahydro-1-methyl- can be used to produce 1-[6-Bromo-5-(1-methyl-1, 2, 3, 6-tetrahydro-pyridin-4-ylmethoxy)-2, 3-dihydro-indol-1-yl]-ethanone.

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

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