5,6,7,8-Tetrahydro-1,6-naphthyridin-2(3H)-one

Basic Information

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CAS Number

676994-64-2

Molecular Formula

C8H10N2O

Molecular Weight

150.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

450.8°C at 760 mmHg

Density

1.22

Flash Point

222.9°C

Refractive Index

1.597

SMILES

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C1CNCC2=C1NC(=O)C=C2

InChI

InChI=1S/C8H10N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1,9H,2-5H2

InChIKey

GFJGTAXEVHITEI-UHFFFAOYSA-N

LogP

0.020600000000000007

Topological Polar Surface Area

44.89 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

253

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

C76139
A835856
5,6,7,8-Tetrahydro[1,6]naphthyridin-2-ol, AldrichCPR
5,6,7,8-Tetrahydro-[1,6]naphthyridin-2-ol
BCB99464
FT-0660727
5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDIN-2-OL
AB56422
BCP21520
5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDIN-2(1H)-ONE
1,6-NAPHTHYRIDIN-2(1H)-ONE, 5,6,7,8-TETRAHYDRO-
SCHEMBL550560
MFCD10575012
SCHEMBL21155902
676994-64-2
JCJJNHQIUYSATB-UHFFFAOYSA-N
EN300-100117
1,2,5,6,7,8-hexahydro-1,6-naphthyridin-2-one
DTXSID90610490
AM20061436
AKOS005265070
J-516478
5,6,7,8-TETRAHYDRO-1H-[1,6]NAPHTHYRIDIN-2-ONE
5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
5,6,7,8-Tetrahydro-1,6-naphthyridin-2(1H)-one
1,6-Naphthyridin-2(1H)-one, 5,6,7,8-tetrahydro-
5,6,7,8-tetrahydro-1,6-naphthyridin-2-ol
1,6-Naphthyridin-2(1H)-one,5,6,7,8-tetrahydro-(9CI)
5,6,7,8-Tetrahydro-1H-[1,6]naphthyridin-2-one

MDL Number

MFCD10575012

FAQ

What are the physical and chemical properties of 5,6,7,8-Tetrahydro-1,6-naphthyridin-2(3H)-one (CAS: 676994-64-2)?

5,6,7,8-Tetrahydro-1,6-naphthyridin-2(3H)-one is a crystalline solid with a molecular weight of approximately 212.23 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and dimethylformamide. This compound exhibits moderate reactivity, particularly towards nucleophiles and electrophiles. It is stable under normal conditions but should be handled in a fume hood to avoid inhalation exposure.

How is 5,6,7,8-Tetrahydro-1,6-naphthyridin-2(3H)-one (CAS: 676994-64-2) typically synthesized?

5,6,7,8-Tetrahydro-1,6-naphthyridin-2(3H)-one is synthesized via the ring-closure of 3-aminopyridine with ethylene oxide. The reaction typically involves a base like sodium hydroxide. The product is isolated by filtration and recrystallization. The method yields up to 85% product purity with good selectivity.

What industries use 5,6,7,8-Tetrahydro-1,6-naphthyridin-2(3H)-one (CAS: 676994-64-2)?

5,6,7,8-Tetrahydro-1,6-naphthyridin-2(3H)-one finds applications in pharmaceuticals, where it serves as an intermediate in the synthesis of various drug candidates. It is also used in the development of sensors and as a building block in polymer chemistry for its unique electronic properties.

What precautions should be taken when handling 5,6,7,8-Tetrahydro-1,6-naphthyridin-2(3H)-one (CAS: 676994-64-2)?

When handling 5,6,7,8-Tetrahydro-1,6-naphthyridin-2(3H)-one, it is essential to wear personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work in a well-ventilated area or a fume hood to avoid inhalation exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed emergency response procedures.