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3-Amino-6-methoxypyridazine

3-Amino-6-methoxypyridazine structure

CAS No:
7252-84-8
Formula:
C5H7N3O
Chemical Name:
3-Amino-6-methoxypyridazine
Synonyms:
3-Pyridazinamine,6-methoxy-;Pyridazine,3-amino-6-methoxy-;6-Methoxy-3-pyridazinamine;3-Amino-6-methoxypyridazine;6-Methoxypyridazin-3-amine;NSC 73703;3-Methoxy-6-aminopyridazine;6-Amino-3-methoxypyridazine;(6-Methoxypyridazin-3-yl)amine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Amino-6-methoxypyridazine Basic Attributes

Molecular Weight：

125.13

Exact Mass：

125.13

EC Number：

230-670-1

UNII：

N3H9A46C5H

NSC Number：

73703

DSSTox ID：

DTXSID00222846

HScode：

2933990090

Characteristics

PSA：

XLogP3：

-0.4

Density：

1.224

Melting Point：

107 °C

Boiling Point：

353.5°C at 760 mmHg

Flash Point：

167.6±22.3 °C

Refractive Index：

1.567

Safety Information

hazard class code：

Marks：

Xi,Xn

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Amino-6-methoxypyridazine Use and Manufacturing

3-Amino-6-methoxy-pyridazine: A mixture of 3-amino-6-chloro- pyridazin (500 mg, 3.86 MMOL), sodium methoxide (1.0 ml, 4.4 mmol, 25 percent w/w) and copper powder (331 mg, 5.17 mmol) in methanol (3 ml) was heated in a sealed tube at 160 °C for 24 h. After cooling, the reaction mixture was diluted with methanol (10 ml) and filtered, and the filtrate was concentrated by vacuum. The residue was purified by chromatography on silica gel with acetate and hexane (1: 2) as eluent, yielding 413 mg of title compound (85.7 percent). H NMR (CDC13) : 6.81 (M, 2H), 4.62 (brs, 2H), 4.00 (s, 3H).(1) In a 100 mL hydrothermal autoclave, 12.9 g (0.1 mol) of powdery 3-amino-6-chloropyridazine and 6.5 g (0.12 mol) of sodium methoxide are added to 30 mol of methanol to add a cuprous iodide catalyst 0.8 Grams.The system is sealed after mixing. The reaction was heated to 120°C for 12 hours (or 6 hours at 150°C). (2) After the reaction is completed, cool slightly (reaction system to normal pressure or slightly positive pressure), filter the reaction solution, and recrystallize the filtrate at -5°C to 5°C.Under normal temperature, it is light yellow semi-liquid, namely 3-amino-6-methoxypyridazine, its conversion rate is 80percent, purity ≥98percent, Slight yellow crystals after drying3-amino-6-methoxypyridazine10 g, yield 80percent (purity may be more than 99percent for multiple recrystallizations).

Computed Properties

Molecular Weight:125.13
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:125.058911855
Monoisotopic Mass:125.058911855
Topological Polar Surface Area:61
Heavy Atom Count:9
Complexity:88.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Hexane

Sodium methoxide

Ammonium hydroxide

Acetic acid

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Guide of 3-Amino-6-methoxypyridazine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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3-Amino-6-methoxypyridazine

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