5-Ethynyl-1H-indazole

Base Information

• Chemical Name: 5-Ethynyl-1H-indazole
• CAS No.: 403660-57-1
• Molecular Formula: C9H6N2
• Molecular Weight: 142.16
• European Community (EC) Number: 960-188-3
• Mol file: 403660-57-1.mol

Synonyms:5-ETHYNYL-1H-INDAZOLE;403660-57-1;1H-Indazole, 5-ethynyl-;SCHEMBL1519704;HITPFUFPRYAMGN-UHFFFAOYSA-N;MFCD20528036;AKOS025396219;PB25761;AS-51497;DB-317680;CS-0050496;P12800;EN300-7417195;Z1322795432

Chemical Property of 5-Ethynyl-1H-indazole

Chemical Property:

• PSA: 28.68000
• LogP: 1.54420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 142.053098200
• Heavy Atom Count: 11
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

5-ethynyl-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC2=C(C=C1)NN=C2

Technology Process of 5-Ethynyl-1H-indazole

There total 10 articles about 5-Ethynyl-1H-indazole 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: 100.0%

→ 5-ethynyl-1H-indazole (403660-57-1)

Guidance literature:

Reference yield: 95.0%

tert-butyl 5-((trimethylsilyl)ethynyl)-1H-indazole-1-carboxylate (1093306-78-5) → 5-ethynyl-1H-indazole (403660-57-1)

Guidance literature:

With methanol; potassium hydroxide;

DOI:10.1016/j.bmcl.2011.01.007

Reference yield: 66.0%

5-[2-(trimethylsilyl)ethynyl]-1H-indazole (1093847-82-5) → 5-ethynyl-1H-indazole (403660-57-1)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

upstream raw materials:

tert-butyl 5-((trimethylsilyl)ethynyl)-1H-indazole-1-carboxylate

tert-butyl 5-bromo-1H-indazole-1-carboxylate

5-bromo-1H-indazole

5-[2-(trimethylsilyl)ethynyl]-1H-indazole

Downstream raw materials:

5-[1-(2-methylbenzyl)-1H-1,2,3-triazol-4-yl]-1H-indazole

5-(3-benzylisoxazol-5-yl)-1H-indazole

5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazole

5-(1-benzyl-1H-1,2,3-triazol-5-yl)-1H-indazole

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