1587-09-3

Basic information

• Product Name: 2,3a,4,5,6,7-hexahydro-3H-indazol-3-one
• Synonyms: 2,3a,4,5,6,7-Hexahydro-3H-indazol-3-one; 3H-indazol-3-one, 2,3a,4,5,6,7-hexahydro-
• CAS NO: 1587-09-3
• Molecular Formula: C₇H₁₀N₂O
• Molecular Weight: 138.1671
• Mol File: 1587-09-3.mol
• Article Data: 3

Chemical Properties

• Density: 1.45g/cm³
• Refractive Index: 1.701
• CAS DataBase Reference: 2,3a,4,5,6,7-hexahydro-3H-indazol-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3a,4,5,6,7-hexahydro-3H-indazol-3-one(1587-09-3)
• EPA Substance Registry System: 2,3a,4,5,6,7-hexahydro-3H-indazol-3-one(1587-09-3)

Safety Data

• Hazardous Substances Data: 1587-09-3(Hazardous Substances Data)

Usage

General Description

2,3a,4,5,6,7-hexahydro-3H-indazol-3-one is a chemical compound with the molecular formula C8H10N2O. It is a saturated heterocyclic compound that belongs to the family of indazoles, which are bicyclic compounds containing a pyrazole fused to a benzene ring. 2,3a,4,5,6,7-hexahydro-3H-indazol-3-one has potential applications in pharmacology, as it is a core structure found in certain pharmaceuticals and bioactive molecules. It is also a versatile intermediate in organic synthesis, with potential uses in the production of various functional materials. Additionally, it may also have potential applications in the field of agrochemicals and as a building block in the synthesis of other complex molecules.

Upstream product

• 1655-07-8 ethyl 2-oxocyclohexane carboxylate 

Downstream Products

• 19462-59-0 3,4-tetramethylene-4-chloro-2-pyrazolin-5-one 

Relevant articles and documents

Tautomerism-dependent ring construction of N-heterocyclic compounds from the reactions of 1-alkynyl fischer carbene complexes and substituted pyrazolinones

Four types of N-heterocyclic ring systems were successfully constructed from the reactions of 1-alkynyl Fischer carbene complexes (OC) 5M=C(OEt)C≡CPh (1) (M = Cr, W) and substituted pyrazolinones (2). Reactions of 1 with 3-methyl-2-pyrazolin-5-one (2a), 3-n-propyl-2- pyrazolin-5-one (2b), 3,4-dimethyl-2-pyrazolin-5-one (2c), 3,4-trimethylene-2- pyrazolin-5-one (2d), or 3,4-tetramethylene-2-pyrazolin-5-one (2e) generated three kinds of Fischer aminocarbene complexes (3-5), and reactions of 1 with phenyl-substituted pyrazolinones, i.e., 3-phenyl-2-pyrazolin-5-one (2f) and its tautomer 3-phenyl-3-pyrazolin-5-one (2g), gave Fischer alkoxycarbene complexes (6) as the major products and aminocarbene complexes of types 3-5 as the minor products. Multiple tautomerism of pyrazolinones is attributed to the versatile formation of N-heterocyclic Fischer carbene complexes. Oxidative demetalation of complexes 3-6 with pyridine N-oxide or m-chloroperoxybenzoic acid efficiently afforded organic carbonyl products, and thus, strongly fluorescent syn-mixed-bimanes were prepared. The present findings constitute an alternative new method to synthesize mixed bimanes and other novel N-heterocyclic compounds.

NEW TYPE OF CONDENSATION OF 5-PYRAZOLONES UNSUBSTITUTED AT THE NITROGEN

1,5-Tripyrazolylenes were prepared with satisfactory yields by the reaction of 5-pyrazolones unsubstituted at the nitrogen atom with an equimolar amount of POCl3 in open vessels together with 5-chloro derivatives (Michaelis reaction).