2-(1H-indazol-3-yl)acetic acid

Base Information

• Chemical Name: 2-(1H-indazol-3-yl)acetic acid
• CAS No.: 26663-42-3
• Molecular Formula: C₉H₈N₂O₂
• Molecular Weight: 176.175
• Hs Code.: 29339900
• European Community (EC) Number: 836-973-0
• DSSTox Substance ID: DTXSID50499521
• Wikidata: Q82350356
• Mol file: 26663-42-3.mol

Synonyms:2-(1H-indazol-3-yl)acetic acid;26663-42-3;1H-Indazole-3-acetic acid;(1H-indazol-3-yl)-acetic acid;2-(2H-indazol-3-yl)acetic acid;MFCD08236726;1H-Indazol-3-ylacetic acid;2-(1H-Indazol-3-yl)aceticacid;azaindol-3-ylacetic acid;SCHEMBL462088;(2H-Indazol-3-yl)acetic acid;DTXSID50499521;AKOS000264025;(1H-INDAZOL-3-YL)-ACETICACID;AB43858;FS-3652;AC-17819;SY042874;A5256;CS-0043717;FT-0604103;EN300-52202;J-505350;Z335442472

Chemical Property of 2-(1H-indazol-3-yl)acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 168 °C (decomp)
• Refractive Index: 1.707
• Boiling Point: 434.3 °C at 760 mmHg
• PKA: 3.93±0.30(Predicted)
• Flash Point: 216.457 °C
• PSA: 65.98000
• Density: 1.438 g/cm³
• LogP: 1.19000
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 176.058577502
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

2-(1H-Indazol-3-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(NN=C2C=C1)CC(=O)O

Technology Process of 2-(1H-indazol-3-yl)acetic acid

There total 13 articles about 2-(1H-indazol-3-yl)acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

3-amino-3-(2-nitrophenyl)propionic acid (5678-48-8,732242-02-3,756814-14-9) → 2-(1H-indazol-3-yl)acetic acid (26663-42-3)

Guidance literature:

With hydrazine hydrate; sodium hydroxide; In water; at 80 ℃; for 0.5h;

DOI:10.3390/molecules25081895

Reference yield: 66.0%

2-(1H-indazol-3-yl)acetonitrile (101714-15-2) → 2-(1H-indazol-3-yl)acetic acid (26663-42-3)

Guidance literature:

With hydrogenchloride; water; at 100 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2011.10.027

Reference yield: 54.0%

malonic acid (141-82-2) + 2-nitro-benzaldehyde (552-89-6) → 2-(1H-indazol-3-yl)acetic acid (26663-42-3)

Guidance literature:

malonic acid; 2-nitro-benzaldehyde; With ammonium formate; In ethanol;

With sodium hydroxide; hydrazine; Ra-Ni;

DOI:10.1021/jm049478u

upstream raw materials:

2-hydrazino-cinnamic acid

3-amino-3-(2-nitrophenyl)propionic acid

malonic acid

2-nitro-benzaldehyde

Downstream raw materials:

methyl 1H-Indazole-3-ylacetate