Cas no 885271-25-0 (Methyl 3-iodo-1H-indazole-5-carboxylate)

Methyl 3-iodo-1H-indazole-5-carboxylate structure
885271-25-0 structure
Product Name:Methyl 3-iodo-1H-indazole-5-carboxylate
CAS No:885271-25-0
MF:C9H7IN2O2
MW:302.068554162979
MDL:MFCD06739144
CID:710802
PubChem ID:24728589
Update Time:2024-10-26

Methyl 3-iodo-1H-indazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-iodo-1H-indazole-5-carboxylate
    • 1H-Indazole-5-carboxylicacid, 3-iodo-, methyl ester
    • 3-IODO-1H-INDAZOLE-5-CARBOXYLIC ACID METHYL ESTER
    • 3-Iodo-4-(1H)indazole carboxylic acid methyl ester
    • 3-Iodo-4-(1H)indazole carboxylic acid methyl ester
    • 3-Iodo-5-indazolecarboxylic acid methyl ester
    • methyl 3-iodo-2H-indazole-5-carboxylate
    • Methyl 3-iodoindazole-5-carboxylate
    • C9H7IN2O2
    • 1H-INDAZOLE-5-CARBOXYLIC ACID, 3-IODO-, METHYL ESTER
    • PubChem18043
    • JQHYEHRKSDHNFC-UHFFFAOYSA-N
    • SBB068643
    • PB32475
    • FCH138159
    • Methyl3-iodo-1H-indazole-5-carboxylate
    • SCHEMBL2569247
    • CS-0041089
    • SCHEMBL20768241
    • AKOS015851419
    • 885271-25-0
    • MFCD06739144
    • DS-14168
    • DTXSID00646422
    • J-522183
    • SY065424
    • MDL: MFCD06739144
    • Inchi: 1S/C9H7IN2O2/c1-14-9(13)5-2-3-7-6(4-5)8(10)12-11-7/h2-4H,1H3,(H,11,12)
    • InChI Key: JQHYEHRKSDHNFC-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C2C(NN=C2I)=CC=1)OC

Computed Properties

  • Exact Mass: 301.95500
  • Monoisotopic Mass: 301.955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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
  • Topological Polar Surface Area: 55
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.1

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.948
  • Boiling Point: 421.4°C at 760 mmHg
  • Flash Point: 208.6 °C
  • Refractive Index: 1.72
  • PSA: 54.98000
  • LogP: 1.95410

Methyl 3-iodo-1H-indazole-5-carboxylate Security Information

Methyl 3-iodo-1H-indazole-5-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%

Methyl 3-iodo-1H-indazole-5-carboxylate Pricemore >>

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Methyl 3-iodo-1H-indazole-5-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Iodine Solvents: Dimethylformamide ;  0 °C
Reference
Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)acetamides and carboxamides
Laufer, Radoslaw ; Ng, Grace; Liu, Yong; Patel, Narendra Kumar B.; Edwards, Louise G.; et al, Bioorganic & Medicinal Chemistry, 2014, 22(17), 4968-4997

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Iodine Solvents: Dimethyl sulfoxide ;  4 h, rt
1.2 Reagents: Sodium bisulfite
Reference
Kemp-type elimination of 1-arylsulfonyl-3-iodo-1H-indazoles
Zhang, Jiawei; Kong, Kaimin; Li, Xiangjun; Zhang, Qian, Synthetic Communications, 2021, 51(15), 2365-2376

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Iodine Solvents: Dimethylformamide ;  overnight, rt
1.2 Reagents: Sodium thiosulfate Solvents: Water ;  rt
Reference
Design, synthesis, and Structure-Activity Relationships (SAR) of 3-vinylindazole derivatives as new selective tropomyosin receptor kinases (Trk) inhibitors
Duan, Yunxin; Wang, Jie; Zhu, Sihua; Tu, Zheng-Chao; Zhang, Zhang; et al, European Journal of Medicinal Chemistry, 2020, 203,

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Iodine Solvents: Dimethylformamide ;  > 1 h, 0 °C
Reference
Preparation of 3-indazolylbenzenesulfonamides as kinase inhibitors useful in treating cancer
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Iodine Solvents: Dimethylformamide ;  rt; 15 h, rt
1.2 Reagents: Sodium bisulfite Solvents: Water ;  rt; 1 h, rt
Reference
Optimizing the Benefit/Risk of Acetyl-CoA Carboxylase Inhibitors through Liver Targeting
Huard, Kim; Smith, Aaron C.; Cappon, Gregg; Dow, Robert L. ; Edmonds, David J. ; et al, Journal of Medicinal Chemistry, 2020, 63(19), 10879-10896

Methyl 3-iodo-1H-indazole-5-carboxylate Raw materials

Methyl 3-iodo-1H-indazole-5-carboxylate Preparation Products

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