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1,6-Naphthyridine

1,6-Naphthyridine structure

CAS No:
253-72-5
Formula:
C8H6N2
Chemical Name:
1,6-Naphthyridine
Synonyms:
1,6-Naphthyridine;1,6-Diazanaphthalene;1,6-Pyridopyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

1,6-naphthyridine is a naphthyridine.

1,6-Naphthyridine Basic Attributes

Molecular Weight：

130.15

Exact Mass：

130.15

UNII：

S1T14P7OW7

DSSTox ID：

DTXSID8059762

HScode：

2933990090

Characteristics

PSA：

25.8

XLogP3：

1.1

Density：

1.2±0.1 g/cm3

Melting Point：

31.5 °C

Boiling Point：

267.3°C at 760 mmHg

Flash Point：

35 °C

Refractive Index：

1.653

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

hazard class code：

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H318

GHS Classification：

|Warning|H302 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,6-Naphthyridine Use and Manufacturing

Methods of Manufacturing

A sulfuric acid solution was prepared by adding H2SO4 (100 mL) to H2O (57 mL) cooled in an ice bath. To this solution was added glycerol (33 mL, 457 mmol), m-nitrobenzene sulfonic acid sodium salt (48 g, 212 mmol) and 4-amino-pyridine (10 g, 106 mmol). The reaction mixture was heated at 135°C for 4 hours. The cooled reaction mixture was basicified with 2.5 N NaOH (500 mL) with cooling in an ice bath, and extracted into CH2Cl2 (3 x 200 mL). The organic fractions were combined, dried over Na2SO4 and concentrated. The resulting oil was purified by column chromatography (5percent MeOH/CH2Cl2) affording 5.04 g (36percent) as a dark orange oil. An analytical sample was prepared as the HCl salt from EtOAc yielding an orange low melting solid. MS EI m/z 130 M+. Ref: Chem Pharm Bull. 1971, 19, 9, p. 1751-17551.

Manufacturing Info：

1,6-Naphthyridine: INACTIVE

Computed Properties

Molecular Weight:130.15
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Exact Mass:130.053098200
Monoisotopic Mass:130.053098200
Topological Polar Surface Area:25.8
Heavy Atom Count:10
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,6-naphthyridine

CAS No.: 253-72-5

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