Cas no 916179-88-9 (Methyl 3-bromoindole-5-carboxylate)

Methyl 3-bromoindole-5-carboxylate structure
916179-88-9 structure
Product Name:Methyl 3-bromoindole-5-carboxylate
CAS No:916179-88-9
MF:C10H8BrNO2
MW:254.080021858215
MDL:MFCD12828702
CID:1056176
PubChem ID:53393247
Update Time:2024-10-26

Methyl 3-bromoindole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-Bromoindole-5-carboxylate
    • 3-bromo-1H-Indole-5-carboxylic acid methyl ester
    • methyl 3-bromo-1H-indole-5-carboxylate
    • NSZAFPUTJXZLKC-UHFFFAOYSA-N
    • Methyl3-Bromoindole-5-carboxylate
    • FCH1377228
    • TRA0072935
    • SY006257
    • AB1000733
    • V9110
    • 3-Bromo-indole-5-carboxylic Acid Methyl Ester
    • Methyl 3-bromo-1H-indole-5-carboxylate (ACI)
    • 3-Bromoindole-5-carboxylic acid methyl ester
    • DTXSID90693844
    • SCHEMBL3974596
    • CS-0063909
    • CS-11129
    • 916179-88-9
    • MFCD12828702
    • AKOS015898372
    • Methyl 3-bromoindole-5-carboxylate
    • MDL: MFCD12828702
    • Inchi: 1S/C10H8BrNO2/c1-14-10(13)6-2-3-9-7(4-6)8(11)5-12-9/h2-5,12H,1H3
    • InChI Key: NSZAFPUTJXZLKC-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C2C(NC=C2Br)=CC=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: 2
  • 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
  • Topological Polar Surface Area: 42.1
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.629
  • PSA: 42.09000
  • LogP: 2.71700

Methyl 3-bromoindole-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%

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Methyl 3-bromoindole-5-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Dimethylformamide ;  0 °C; 0 °C → rt; 3 h, rt
Reference
A Palladium(II)-Catalyzed C-H Activation Cascade Sequence for Polyheterocycle Formation
Cooper, Stephen P.; Booker-Milburn, Kevin I., Angewandte Chemie, 2015, 54(22), 6496-6500

Methyl 3-bromoindole-5-carboxylate Raw materials

Methyl 3-bromoindole-5-carboxylate Preparation Products

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