Ethyl 1H-indazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 1H-indazole-5-carboxylate
• CAS No.: 192944-51-7
• Molecular Formula: C10H10N2O2
• Molecular Weight: 190.202
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID90363575
• Wikidata: Q27455128
• Mol file: 192944-51-7.mol

Synonyms:Ethyl 1H-indazole-5-carboxylate;192944-51-7;1H-Indazole-5-carboxylic acid ethyl ester;Ethyl 2h-Indazole-5-Carboxylate;1H-Indazole-5-carboxylic acid, ethyl ester;MFCD03426220;135040-05-0;N-[3-(1,5-Disulfonaphthyl)]-N/'/'-[4-(2,2,6,6-tetramethylpiperidine-N-oxide)]-;5-Ethoxycarbonylindazole;Ethyl Indazole-5-carboxylate;SCHEMBL145658;Ethyl1H-indazole-5-carboxylate;DTXSID90363575;BCP26274;BBL101555;STL555351;AKOS005259658;AB14803;DS-0467;FS-2829;Indazole-5-carboxylic Acid Ethyl Ester;AC-30504;A4251;CS-0006072;E1067;FT-0648002;W-206423;Q27455128;4W5

Chemical Property of Ethyl 1H-indazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 3.47E-05mmHg at 25°C
• Melting Point: 122-124℃
• Refractive Index: 1.627
• Boiling Point: 353.9°Cat760mmHg
• PKA: 12.81±0.40(Predicted)
• Flash Point: 167.8°C
• PSA: 54.98000
• Density: 1.272g/cm³
• LogP: 1.73960
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.4
• 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

Ethyl1H-Indazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(C=C1)NN=C2

Technology Process of Ethyl 1H-indazole-5-carboxylate

There total 6 articles about Ethyl 1H-indazole-5-carboxylate 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: 95.0%

ethanol (64-17-5) + 1H-indazole-5-carboxylic acid (61700-61-6) → 1H-indazole-5-carboxylic acid ethyl ester (192944-51-7)

Guidance literature:

With thionyl chloride; at 0 - 130 ℃; for 1h; Inert atmosphere; Microwave irradiation;

DOI:10.1016/j.ejmech.2015.06.028

Reference yield: 60.0%

ethyl 1-acetyl-1H-indazole-5-carboxylatee (192944-50-6) → 1H-indazole-5-carboxylic acid ethyl ester (192944-51-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jm990049j

Reference yield: 60.0%

→ 1H-indazole-5-carboxylic acid ethyl ester (192944-51-7)

Guidance literature:

upstream raw materials:

ethyl 1-acetyl-1H-indazole-5-carboxylatee

1-amino-2-methylbenzene-4-carboxylic acid ethyl ester

acetic anhydride

4-amino 3-methylbenzoic acid

Downstream raw materials:

ethyl 1-(2-aminoethyl)-1H-indazole-5-carboxylate

1-[3-(1-benzyloxycarbonyl-1H-pyrazol-3-ylamino)-propyl]-1H-indazole-5-carboxylic acid ethyl ester

1-[3-(N-(1-triphenylmethylimidazol-2-yl)amino)propyl]indazole-5-carboxylic acid

ethyl 1-[3-(N-(1-triphenylmethylimidazol-2-yl)amino)propyl]indazole-5-carboxylate