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4′-O-Methylpyridoxine

4′-O-Methylpyridoxine structure

CAS No:
1464-33-1
Formula:
C9H13NO3
Chemical Name:
4′-O-Methylpyridoxine
Synonyms:
3-Pyridinemethanol,5-hydroxy-4-(methoxymethyl)-6-methyl-;5-Hydroxy-4-(methoxymethyl)-6-methyl-3-pyridinemethanol;4-Methoxypyridoxine;α4-O-Methylpyridoxol;5-Hydroxy-3-(hydroxymethyl)-4-(methoxymethyl)-6-methylpyridine;4′-Methoxypyridoxine;Ginkgotoxin;4′-O-Methylpyridoxine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Solid

Ginkgotoxin is a member of pyridines.

4′-O-Methylpyridoxine Basic Attributes

Molecular Weight：

183.206

Exact Mass：

183.20

DSSTox ID：

DTXSID00163366

HScode：

2933399090

Characteristics

PSA：

62.6

XLogP3：

-0.68

Appearance：

Solid

Density：

1.1967 (rough estimate)

Melting Point：

205-207 °C

Boiling Point：

316.88°C (rough estimate)

Flash Point：

198.3±27.3 °C

Refractive Index：

1.4760 (estimate)

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 1544PSN1 6.1 / PGII

RTECS Number：

UT5009000

Precautionary statement(s)：

P260-P284-P301 + P310 + P330-P304 + P340 + P310-P403 + P233

Hazard Statements：

H300 + H330

Drug Information

MeSH Entry Terms：

4-methoxymethylpyridoxine

4′-O-Methylpyridoxine Use and Manufacturing

Methods of Manufacturing

Cyclization with methoxyacetylacetone and ethyl cyanoacetate with the participation of ammonium hydroxide produces 5-cyano-6-hydroxy-4-methoxymethyl-2-methylpyridine, which is then nitrated to obtain 5-cyano -6-Hydroxy-4-methoxymethyl-2-methyl-3-nitropyridine, chlorinated to give 6-chloro-5-cyano-4-methoxymethyl-2-methyl-3-nitro Base pyridine, palladium-carbon catalytic hydrogenation to obtain 3-amino-5-aminomethyl-4-methoxymethyl-2-methylpyridine, and finally the amino group is diazotized and hydrolyzed to obtain the product.

Uses

Intermediate of vitamin B6.

Computed Properties

Molecular Weight:183.20
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:183.08954328
Monoisotopic Mass:183.08954328
Topological Polar Surface Area:62.6
Heavy Atom Count:13
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4′-O-Methylpyridoxine

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4-methoxymethylpyridoxine

CAS No.: 1464-33-1

Content: 99.00%

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