3-ethyl-1H-indazole

Base Information

• Chemical Name: 3-ethyl-1H-indazole
• CAS No.: 4498-71-9
• Molecular Formula: C9H10N2
• Molecular Weight: 146.18900
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL595903
• DSSTox Substance ID: DTXSID80485831
• Nikkaji Number: J2.572.135G
• Wikidata: Q82325388
• Mol file: 4498-71-9.mol

Synonyms:3-ethyl-1H-indazole;4498-71-9;3-ethyl-2H-indazole;CHEMBL595903;ethylindazole;SCHEMBL254885;SCHEMBL19853487;DTXSID80485831;BDBM50304146;AKOS016846084;KS-9851

Chemical Property of 3-ethyl-1H-indazole

Chemical Property:

• PSA: 28.68000
• LogP: 2.12530
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Ethyl-1H-indazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C2C=CC=CC2=NN1

Technology Process of 3-ethyl-1H-indazole

There total 9 articles about 3-ethyl-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: 95.0%

dimethyl α-diazopropylphosphonate + 2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) → 3-ethylindazole (4498-71-9)

Guidance literature:

With cesium fluoride; In acetonitrile; at 40 ℃; for 12h;

DOI:10.1021/acs.joc.7b02857

Reference yield: 81.0%

1-(2-aminophenyl)propan-1-one oxime (861553-55-1) → 3-ethylindazole (4498-71-9)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 23 ℃;

DOI:10.15227/orgsyn.088.0033

Reference yield: 81.0%

→ 3-ethylindazole (4498-71-9)

Guidance literature:

upstream raw materials:

1-(2-aminophenyl)propan-1-one oxime

2-Fluorobenzaldehyde

1-(2-fluorophenyl)-1-propanol

1-(2-fluorophenyl)propan-1-one

Refernces

• 1、 Youngsaye, Willmen,Hartland, Cathy L.,Morgan, Barbara J.,Ting, Amal,Nag, Partha P.,Vincent, Benjamin,Mosher, Carrie A.,Bittker, Joshua A.,Dandapani, Sivaraman,Palmer, Michelle,Whitesell, Luke,Lindquist, Susan,Schreiber, Stuart L.,Munoz, Benito. "ML212: A small-molecule probe for investigating fluconazole resistance mechanisms in Candida albicans". . p. 1501 - 1507. Retrieved 2013/10/22.
• 2、 Counceller, Carla M.,Eichman, Chad C.,Wray, Brenda C.,Welin, Eric R.,Stambuli, James P.. "The preparation of indazoles via metal free intramolecular electrophilic amination of 2-aminophenyl ketoximes". . p. 33 - 41. Retrieved 2014/04/03.