Cas no 2247769-22-6 (1-Bromo-2-iodo-4-methyl-3-(2-propyn-1-yl)benzene)

1-Bromo-2-iodo-4-methyl-3-(2-propyn-1-yl)benzene structure
2247769-22-6 structure
Product Name:1-Bromo-2-iodo-4-methyl-3-(2-propyn-1-yl)benzene
CAS No:2247769-22-6
MF:C10H8BrI
MW:334.978994369507
CID:6636853
Update Time:2024-01-19

1-Bromo-2-iodo-4-methyl-3-(2-propyn-1-yl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-2-iodo-4-methyl-3-(2-propyn-1-yl)benzene
    • Inchi: 1S/C10H8BrI/c1-3-4-8-7(2)5-6-9(11)10(8)12/h1,5-6H,4H2,2H3
    • InChI Key: HWQWOLIUGUYRKV-UHFFFAOYSA-N
    • SMILES: C1(Br)=CC=C(C)C(CC#C)=C1I

Experimental Properties

  • Density: 1.891±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 321.3±37.0 °C(Predicted)

1-Bromo-2-iodo-4-methyl-3-(2-propyn-1-yl)benzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Boron trifluoride etherate Solvents: Acetonitrile ,  Dichloromethane ;  3 h, -78 °C
Reference
The Coming of Age in Iodane-Guided ortho-C-H Propargylation: From Insight to Synthetic Potential
Izquierdo, Susana ; et al, Chemistry - A European Journal, 2018, 24(58), 15517-15521

Production Method 2

Reaction Conditions
1.1 Reagents: Trifluoromethanesulfonic acid Solvents: Acetic acid ;  5 min, rt
1.2 Reagents: Sodium peroxoborate ;  30 min, rt; 20 h, 50 °C
2.1 Reagents: Boron trifluoride etherate Solvents: Acetonitrile ,  Dichloromethane ;  3 h, -78 °C
Reference
The Coming of Age in Iodane-Guided ortho-C-H Propargylation: From Insight to Synthetic Potential
Izquierdo, Susana ; et al, Chemistry - A European Journal, 2018, 24(58), 15517-15521

1-Bromo-2-iodo-4-methyl-3-(2-propyn-1-yl)benzene Raw materials

1-Bromo-2-iodo-4-methyl-3-(2-propyn-1-yl)benzene Preparation Products

1-Bromo-2-iodo-4-methyl-3-(2-propyn-1-yl)benzene Related Literature

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