7-Bromo-5-fluoro-3-methyl-1H-indole

Base Information

• Chemical Name: 7-Bromo-5-fluoro-3-methyl-1H-indole
• CAS No.: 883001-24-9
• Molecular Formula: C9H7BrFN
• Molecular Weight: 228.064
• DSSTox Substance ID: DTXSID50694852
• Nikkaji Number: J2.821.244E
• Wikidata: Q72456170
• Mol file: 883001-24-9.mol

Synonyms:7-BROMO-5-FLUORO-3-METHYL-1H-INDOLE;883001-24-9;SCHEMBL1137433;DTXSID50694852;RIPHXXHZNPGTMV-UHFFFAOYSA-N;7-Bromo-5-fluoro-3-methyl-indole;MFCD14706303;AKOS025402370;3-Methyl-5-fluoro-7-bromo-1H-indole;AC-8475;SB14731;AS-35465;CS-0172187;FT-0734447;A916957;A1-00205

Chemical Property of 7-Bromo-5-fluoro-3-methyl-1H-indole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.658
• Boiling Point: 323.788 °C at 760 mmHg
• Flash Point: 149.622 °C
• PSA: 15.79000
• Density: 1.646 g/cm³
• LogP: 3.37790
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 226.97459
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

7-Bromo-5-fluoro-3-methyl-1h-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CNC2=C1C=C(C=C2Br)F

Technology Process of 7-Bromo-5-fluoro-3-methyl-1H-indole

There total 5 articles about 7-Bromo-5-fluoro-3-methyl-1H-indole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 77.0%

1-N-allyl-2,6-dibromo-4-fluoroaniline (946197-48-4) → 7-bromo-5-fluoro-3-methyl-1H-indole (883001-24-9)

Guidance literature:

With triethylamine; palladium diacetate; tris-(o-tolyl)phosphine; In acetonitrile; for 2 - 3h; Product distribution / selectivity; Heating / reflux;

Reference yield: 58.0%

2-bromo-4-fluoronitrobenzene (700-36-7) + (E)-1-propenylmagnesium bromide (1730-25-2,13154-14-8,13154-15-9,14092-04-7) → 7-bromo-5-fluoro-3-methyl-1H-indole (883001-24-9)

Guidance literature:

In tetrahydrofuran; at -60 ℃; for 4h; Inert atmosphere;

Reference yield: 42.0%

2-bromo-4-fluoronitrobenzene (700-36-7) + 1-propenylmagnesium bromide (13154-14-8,13154-15-9,14092-04-7,1730-25-2) → 7-bromo-5-fluoro-3-methyl-1H-indole (883001-24-9)

Guidance literature:

In tetrahydrofuran; at -50 ℃; for 1h;

DOI:10.1021/op700107h

upstream raw materials:

1-N-allyl-2,6-dibromo-4-fluoroaniline

2-bromo-4-fluoronitrobenzene

1-propenylmagnesium bromide

2,6-dibromo-4-fluoroaniline

Downstream raw materials:

(2E)-3-(5-fluoro-3-methyl-1H-indol-7-yl)acrylic acid

[2H]-DG-041

7-bromo-1-(3,4-difluoro-benzyl)-5-fluoro-3-methyl-1H-indole

C₁₇H₁₅BrFNO