Cas no 871583-23-2 (Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate)

Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate structure
871583-23-2 structure
Product Name:Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CAS No:871583-23-2
MF:C9H7ClN2O2
MW:210.617080926895
MDL:MFCD09839319
CID:719348
Update Time:2023-12-19

Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid,4-chloro-,methyl ester
    • 6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine
    • Methyl 4-chloro-7-azaindole-2-carboxylate
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-chloro-, methyl ester
    • PubChem14913
    • JPDTUYYBALHQGC-UHFFFAOYSA-N
    • CM0179
    • FCH2259117
    • Methyl 4-chloro-7-azaindole-2-carboxyate
    • EN002061
    • SY008569
    • AX8159010
    • AB0027146
    • ST24031099
    • 4-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester
    • MDL： MFCD09839319
    • Inchi： 1S/C9H7ClN2O2/c1-14-9(13)7-4-5-6(10)2-3-11-8(5)12-7/h2-4H,1H3,(H,11,12)
    • InChI Key： JPDTUYYBALHQGC-UHFFFAOYSA-N
    • SMILES： O=C(C1NC2C(=C(C=CN=2)Cl)C=1)OC

Computed Properties

  • Exact Mass: 210.02000
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • Topological Polar Surface Area: 55

Experimental Properties

  • PSA: 54.98000
  • LogP: 2.00290

Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-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 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Pricemore >>

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Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Mesitylene ;  3 min, 185 °C; 30 min, 185 °C → reflux; 1 h, reflux; reflux → rt; 1 h, rt; 1 h, rt → 0 °C
Reference
Preparation of substituted 5-azaindoles: methyl 4-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
Roy, Patrick; et al, Organic Syntheses, 2007, 84, 262-271

Production Method 2

Reaction Conditions
1.1 Solvents: Mesitylene ;  1 h, reflux
Reference
The Hemetsberger-Knittel synthesis of substituted 5-, 6-, and 7-azaindoles
Roy, Patrick J.; et al, Synthesis, 2005, (16), 2751-2757

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol ;  -15 - -10 °C; 30 min, -10 °C; -10 °C → 0 °C; 2 h, 0 °C; overnight, cooled
1.2 Reagents: Water ,  Ammonium chloride ;  neutralized, cooled
2.1 Solvents: Mesitylene ;  1 h, reflux
Reference
The Hemetsberger-Knittel synthesis of substituted 5-, 6-, and 7-azaindoles
Roy, Patrick J.; et al, Synthesis, 2005, (16), 2751-2757

Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Raw materials

Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Preparation Products

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