Cas no 885278-98-8 (Ethyl 7-methoxy-1H-indazole-3-carboxylate)

Ethyl 7-methoxy-1H-indazole-3-carboxylate structure
885278-98-8 structure
Product Name:Ethyl 7-methoxy-1H-indazole-3-carboxylate
CAS No:885278-98-8
MF:C11H12N2O3
MW:220.224582672119
MDL:MFCD07371597
CID:711612
Update Time:2023-11-28

Ethyl 7-methoxy-1H-indazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 7-methoxy-1H-indazole-3-carboxylate
    • 1H-Indazole-3-carboxylicacid, 7-methoxy-, ethyl ester
    • ethyl 7-methoxy-2H-indazole-3-carboxylate
    • Ethyl 7-methoxy-1H-indazole-3-carboxylate (ACI)
    • MDL: MFCD07371597
    • Inchi: 1S/C11H12N2O3/c1-3-16-11(14)10-7-5-4-6-8(15-2)9(7)12-13-10/h4-6H,3H2,1-2H3,(H,12,13)
    • InChI Key: ZFBHKJGLDLREGI-UHFFFAOYSA-N
    • SMILES: O=C(C1C2C(=C(C=CC=2)OC)NN=1)OCC

Computed Properties

  • Exact Mass: 220.08500
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 260
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.1

Experimental Properties

  • PSA: 64.21000
  • LogP: 1.74820

Ethyl 7-methoxy-1H-indazole-3-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl 7-methoxy-1H-indazole-3-carboxylate Pricemore >>

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Ethyl 7-methoxy-1H-indazole-3-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  24 h, -78 °C → rt
Reference
Synthesis and characterization of photoaffinity probes that target the 5-HT3 receptor
Jack, Thomas; Ruepp, Marc-David; Thompson, Andrew J.; Muhlemann, Oliver; Lochner, Martin, Chimia, 2014, 68(4), 239-242

Production Method 2

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  -78 °C; -78 °C → rt; 20 h, rt
Reference
Synthesis of Indazoles by the [3+2] Cycloaddition of Diazo Compounds with Arynes and Subsequent Acyl Migration
Liu, Zhijian; Shi, Feng; Martinez, Pablo D. G.; Raminelli, Cristiano; Larock, Richard C., Journal of Organic Chemistry, 2008, 73(1), 219-226

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethanol ,  Water ;  rt; 12 h, rt
1.2 Reagents: Sodium carbonate ;  neutralized, rt
Reference
Toward Biophysical Probes for the 5-HT3 Receptor: Structure-Activity Relationship Study of Granisetron Derivatives
Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; et al, Journal of Medicinal Chemistry, 2010, 53(5), 2324-2328

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium fluoride ,  18-Crown-6 Solvents: Tetrahydrofuran ;  24 h, rt
Reference
Facile and efficient synthesis of indazole derivatives by 1,3-cycloaddition of arynes with diazo compounds and azomethine imides
Jin, Tienan; Yang, Fan; Yamamoto, Yoshinori, Collection of Czechoslovak Chemical Communications, 2009, 74(6), 957-972

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium fluoride ,  18-Crown-6 Solvents: Tetrahydrofuran ;  24 h, rt
Reference
An efficient, facile, and general synthesis of 1H-indazoles by 1,3-dipolar cycloaddition of arynes with diazomethane derivatives
Jin, Tienan; Yamamoto, Yoshinori, Angewandte Chemie, 2007, 46(18), 3323-3325

Production Method 6

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  -78 °C; -78 °C → rt; rt
1.2 -
Reference
High-affinity fluorescent ligands for the 5-HT3 receptor
Simonin, Jonathan; Vernekar, Sanjeev Kumar V.; Thompson, Andrew J.; Hothersall, J. Daniel; Connolly, Christopher N.; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(2), 1151-1155

Ethyl 7-methoxy-1H-indazole-3-carboxylate Raw materials

Ethyl 7-methoxy-1H-indazole-3-carboxylate Preparation Products

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