ChemicalBook--->CAS DataBase List--->26663-42-3

26663-42-3

26663-42-3 Structure

26663-42-3 Structure
IdentificationBack Directory
[Name]

(1H-INDAZOL-3-YL)-ACETIC ACID
[CAS]

26663-42-3
[Synonyms]

3-indazoleacetic acid
1H-INDAZOL-3-ACETIC ACID
1H-Indazole-3-acetic acid
(1H-INDAZOL-3-YL)-ACETIC ACID
2-(1H-INDAZOL-3-YL)ACETIC ACID
2-(2H-indazol-3-yl)acetic acid
(1H-Indazol-3-yl)-acetic acid ,97%
1H-indazol-3-ylacetic acid(SALTDATA: FREE)
[EINECS(EC#)]

210-949-4
[Molecular Formula]

C9H8N2O2
[MDL Number]

MFCD08236726
[MOL File]

26663-42-3.mol
[Molecular Weight]

176.17
Chemical PropertiesBack Directory
[Melting point ]

168 °C (decomp)
[Boiling point ]

434.3±20.0 °C(Predicted)
[density ]

1.437±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

3.93±0.30(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C9H8N2O2/c12-9(13)5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,5H2,(H,10,11)(H,12,13)
[InChIKey]

JEEDFPVACIKHEU-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC=C2)C(CC(O)=O)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Risk Statements ]

20/21/22
[Safety Statements ]

36/37
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Amino-3-(2-nitrophenyl)propanoic acid
[Preparation Products]

1H-Indazole-3-acetic acid, Methyl ester
Hazard InformationBack Directory
[Chemical Properties]

Light red solid
[Synthesis]

3-Amino-3-(2-nitrophenyl)propanoic acid

5678-48-8

(1H-INDAZOL-3-YL)-ACETIC ACID

26663-42-3

The general procedure for the synthesis of indazole-3-acetic acid from 3-amino-3-(2-nitrophenyl)propionic acid was as follows: 3-amino-3-(2-nitrophenyl)propionic acid (15 g, 71.4 mmol) was dissolved in a mixture of 5% sodium hydroxide solution (85 mL) and 85% hydrazine hydrate (5 mL). The reaction mixture was heated to 80°C, followed by the slow addition of nickel ruanne (25 mg in two portions). After the reaction was carried out for half an hour, the reaction mixture was cooled and the pH was adjusted to ≈2 with 6 N hydrochloric acid.The precipitated solid precipitate was collected by filtration and dried under vacuum to give 6.86 g of yellow solid product in 54.5% yield.

[References]

[1] Patent: EP2781508, 2014, A1. Location in patent: Paragraph 0099
[2] Patent: US2014/303186, 2014, A1. Location in patent: Paragraph 0224
[3] Journal of Medicinal Chemistry, 1992, vol. 35, # 12, p. 2155 - 2162
Spectrum DetailBack Directory
[Spectrum Detail]

(1H-INDAZOL-3-YL)-ACETIC ACID(26663-42-3)1HNMR
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