Cas no 959239-01-1 (Methyl 7-Bromo-1h-indole-3-carboxylate)

Methyl 7-Bromo-1h-indole-3-carboxylate structure
959239-01-1 structure
Product Name:Methyl 7-Bromo-1h-indole-3-carboxylate
CAS No:959239-01-1
MF:C10H8BrNO2
MW:254.080021858215
MDL:MFCD09836013
CID:1006447
PubChem ID:34176449
Update Time:2024-10-25

Methyl 7-Bromo-1h-indole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-INDOLE-3-CARBOXYLIC ACID,7-BROMO-METHYL ESTER
    • 7-Bromo-1H-indole-3-carboxylic acid methyl ester
    • METHYL 7-BROMO-1H-INDOLE-3-CARBOXYLATE
    • QC-5205
    • Methyl 7-bromo-1H-indole-3-carboxylate (ACI)
    • F17761
    • SCHEMBL17113293
    • DTXSID30652975
    • MFCD09836013
    • AKOS025396005
    • 1H-Indole-3-carboxylic acid, 7-bromo-, methyl ester
    • DB-080373
    • Methyl 7-Bromoindole-3-carboxylate
    • SY058876
    • methyl7-bromo-1H-indole-3-carboxylate
    • 959239-01-1
    • Methyl 7-Bromo-1h-indole-3-carboxylate
    • MDL: MFCD09836013
    • Inchi: 1S/C10H8BrNO2/c1-14-10(13)7-5-12-9-6(7)3-2-4-8(9)11/h2-5,12H,1H3
    • InChI Key: HIJADRCKUDCXPJ-UHFFFAOYSA-N
    • SMILES: O=C(C1C2C(=C(C=CC=2)Br)NC=1)OC

Computed Properties

  • Exact Mass: 252.97400
  • Monoisotopic Mass: 252.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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
  • XLogP3: 3.3
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 386.2±22.0 °C at 760 mmHg
  • Flash Point: 187.3±22.3 °C
  • PSA: 42.09000
  • LogP: 2.71700
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Methyl 7-Bromo-1h-indole-3-carboxylate Security Information

Methyl 7-Bromo-1h-indole-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%

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Methyl 7-Bromo-1h-indole-3-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ;  rt; rt → 80 °C
Reference
Decatungstate-Photocatalyzed Dearomative Hydroacylation of Indoles: Direct Synthesis of 2-Acylindolines
Varlet, Thomas; Bouchet, Damien; Van Elslande, Elsa; Masson, Geraldine, Chemistry - A European Journal, 2022, 28(56),

Methyl 7-Bromo-1h-indole-3-carboxylate Raw materials

Methyl 7-Bromo-1h-indole-3-carboxylate Preparation Products

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