Cas no 830-93-3 (5-Bromogramine)

5-Bromogramine structure
5-Bromogramine structure
Product Name:5-Bromogramine
CAS No:830-93-3
MF:C11H13BrN2
MW:253.138321638107
MDL:MFCD00055980
CID:723125
PubChem ID:13249
Update Time:2024-10-27

5-Bromogramine Chemical and Physical Properties

Names and Identifiers

    • 1-(5-Bromo-1H-indol-3-yl)-N,N-dimethylmethanamine
    • 1H-Indole-3-methanamine,5-bromo-N,N-dimethyl-
    • 5-BROMOGRAMINE
    • (5-Brom-indol-3-ylmethyl)-dimethyl-amin
    • (5-bromo-indol-3-ylmethyl)-dimethyl-amine
    • 5-bromo-3-(N,N-dimethylamino)methylindole
    • 5-Bromo-N,N-dimethyl-1H-Indole-3-methanamine
    • BROMOGRAMINE
    • INDOLE,5-BROMO-3-(DIMETHYLAMINO)METHYL
    • N-[(5-bromo-1H-indol-3-yl)methyl]-N,N-dimethylamine
    • [(5-Bromo-1H-indol-3-yl)methyl]dimethylamine
    • 5-Bromo-N,N-dimethyl-1H-indole-3-methanamine (ACI)
    • Indole, 5-bromo-3-[(dimethylamino)methyl]- (6CI, 7CI, 8CI)
    • NSC 73386
    • CS-0204422
    • AKOS005259245
    • 5-bromogramine crystalline
    • B-8200
    • (5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine
    • DTXSID80232120
    • 1H-Indole-3-methanamine, 5-bromo-N,N-dimethyl-
    • SCHEMBL1196680
    • CHEMBL1253697
    • FSERHDPEOFYMMK-UHFFFAOYSA-N
    • 4-22-00-04316 (Beilstein Handbook Reference)
    • AC-27826
    • INDOLE, 5-BROMO-3-(DIMETHYLAMINO)METHYL-
    • NSC-73386
    • (5-bromo-1H-indol-3-ylmethyl)-dimethyl-amine
    • EN300-203559
    • 830-93-3
    • 5-bromo-3-(dimethylaminomethyl)indole
    • BS-22636
    • NSC73386
    • Z1269196757
    • DB-018633
    • MFCD00055980
    • BRN 0160259
    • A19211
    • 5-Bromogramine
    • MDL： MFCD00055980
    • Inchi： 1S/C11H13BrN2/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7H2,1-2H3
    • InChI Key： FSERHDPEOFYMMK-UHFFFAOYSA-N
    • SMILES： BrC1C=C2C(NC=C2CN(C)C)=CC=1

Computed Properties

  • Exact Mass: 252.02600
  • Monoisotopic Mass: 252.026211
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 196
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 19

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.449
  • Boiling Point: 346.9 oC at 760 mmHg
  • Flash Point: 163.6oC
  • Refractive Index: 1.655
  • PSA: 19.03000
  • LogP: 2.99200
  • Solubility: Not determined

5-Bromogramine Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302-H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22-36/37/38
  • Safety Instruction： S26
  • RTECS：NL5170000
  • Hazardous Material Identification： Xn
  • Storage Condition：?20°C
  • Risk Phrases：R22; R36/37/38

5-Bromogramine 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%

5-Bromogramine Pricemore >>

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5-Bromogramine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Toluene ,  Hexane ;  10 min, 0 - 5 °C; 15 min, 0 - 5 °C
1.2 Reagents: Diisobutylaluminum hydride Solvents: Toluene ;  5 min, 0 - 5 °C; rt; 16 h, 50 °C
1.3 Reagents: Methanol ;  10 min, rt
Reference
A practical synthesis of indole-based heterocycles using an amidoaluminum-mediated strategy
Todd, Robert; et al, Synthesis, 2009, (11), 1846-1850

Production Method 2

Reaction Conditions
Reference
Bromo derivatives of gramines. Preparation and pharmacological properties
Da Settimo, Antonio; et al, European Journal of Medicinal Chemistry, 1983, 18(3), 261-7

Production Method 3

Reaction Conditions
1.1 Reagents: Trimethylaluminum Solvents: Toluene ;  15 min, 0 - 5 °C; rt; 1 - 2 h, rt
1.2 Solvents: Toluene ;  10 min, rt; 16 h, reflux; reflux → rt
1.3 Reagents: Water ;  5 min, rt
2.1 Reagents: Butyllithium Solvents: Toluene ,  Hexane ;  10 min, 0 - 5 °C; 15 min, 0 - 5 °C
2.2 Reagents: Diisobutylaluminum hydride Solvents: Toluene ;  5 min, 0 - 5 °C; rt; 16 h, 50 °C
2.3 Reagents: Methanol ;  10 min, rt
Reference
A practical synthesis of indole-based heterocycles using an amidoaluminum-mediated strategy
Todd, Robert; et al, Synthesis, 2009, (11), 1846-1850

5-Bromogramine Raw materials

5-Bromogramine Preparation Products

5-Bromogramine Related Literature

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