Methyl 2-(1H-indazol-3-yl)acetate

Base Information

• Chemical Name: Methyl 2-(1H-indazol-3-yl)acetate
• CAS No.: 131666-74-5
• Molecular Formula: C10H10N2O2
• Molecular Weight: 190.202
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30560586
• Nikkaji Number: J3.133.962F
• Wikidata: Q82444010
• Mol file: 131666-74-5.mol

Synonyms:Methyl 2-(1H-indazol-3-yl)acetate;131666-74-5;methyl 2-(2H-indazol-3-yl)acetate;1H-Indazole-3-acetic acid, methyl ester;MFCD20527514;Methyl (2H-indazol-3-yl)acetate;Methyl 1H-indazole-3-acetate;SCHEMBL4300704;Methyl 2-(3-Indazolyl)acetate;Methyl 1H-Indazole-3-ylacetate;DTXSID30560586;methyl-1-H-indazole-3-ylacetate;GJIMTGCSEXYRCB-UHFFFAOYSA-N;Methyl2-(1H-indazol-3-yl)acetate;AKOS016013875;CS-W022776;DS-5560;s11844;SY114659;A888390

Chemical Property of Methyl 2-(1H-indazol-3-yl)acetate

Chemical Property:

• Boiling Point: 353.3±17.0 °C(Predicted)
• PKA: 13.56±0.40(Predicted)
• PSA: 54.98000
• Density: 1.285±0.06 g/cm3(Predicted)
• LogP: 1.27840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(1H-indazol-3-yl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=C2C=CC=CC2=NN1

Technology Process of Methyl 2-(1H-indazol-3-yl)acetate

There total 5 articles about Methyl 2-(1H-indazol-3-yl)acetate 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: 93.0%

methanol (67-56-1) + 2-(1H-indazol-3-yl)acetic acid (26663-42-3) → methyl 1H-Indazole-3-ylacetate (131666-74-5)

Guidance literature:

With sulfuric acid; at 68 ℃; for 16h;

Reference yield: 70.0%

2-(1H-indazol-3-yl)acetic acid (26663-42-3) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 1H-Indazole-3-ylacetate (131666-74-5)

Guidance literature:

In methanol; hexane; at 0 ℃; for 1h;

DOI:10.1021/acs.jmedchem.1c01066

Reference yield:

2-(1H-indazol-3-yl)acetic acid (26663-42-3) → methyl 1H-Indazole-3-ylacetate (131666-74-5)

Guidance literature:

With sulfuric acid; In methanol;

upstream raw materials:

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

methanol

2-(1H-indazol-3-yl)acetonitrile

2-methyl-2-propanyl 3-(bromomethyl)-1H-indazole-1-carboxylate

Downstream raw materials:

methyl 1-(4-bromo-2-fluorobenzyl)-1H-indazole-3-acetate

N-(4-hydroxy-3,5-dimethylphenyl)-2-(1-iso-propyl-1H-indazol-3-yl)-acetamide

Methyl 2-(1-(4-chlorobenzoyl)-1H-indazol-3-yl)acetate

1-(4-bromo-2-fluorobenzyl)-1H-indazole-3-acetic acid