3-Bromo-2-fluoro-1,4,5-trimethylbenzene

Base Information

• Chemical Name: 3-Bromo-2-fluoro-1,4,5-trimethylbenzene
• CAS No.: 392-59-6
• Molecular Formula: C₉H₁₀BrF
• Molecular Weight: 217.081
• DSSTox Substance ID: DTXSID201279779
• Mol file: 392-59-6.mol

Synonyms:DTXSID201279779;3-Bromo-2-fluoro-1,4,5-trimethylbenzene;392-59-6

Chemical Property of 3-Bromo-2-fluoro-1,4,5-trimethylbenzene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 215.99499
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)Br)F)C

Technology Process of 3-Bromo-2-fluoro-1,4,5-trimethylbenzene

There total 2 articles about 3-Bromo-2-fluoro-1,4,5-trimethylbenzene 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:

→ 3-bromo-2-fluoro-1,4,5-trimethyl-benzene (392-59-6)

Guidance literature:

With bromine; iodine;

Reference yield:

2-bromo-3,4,6-trimethylaniline (102236-50-0) → 3-bromo-2-fluoro-1,4,5-trimethyl-benzene (392-59-6)

Guidance literature:

With hydrogenchloride; sodium nitrite; Diazotization_.Behandeln mit Natrium-tetrafluoroborat, zuletzt unter Erhitzen;

Reference yield: 85.0%

3-bromo-2-fluoro-1,4,5-trimethyl-benzene (392-59-6) + 1,1-dimethyl-2,3,4,5-tetraphenylsilole (7641-40-9) → (1S,8R)-3,4,6,11,11-Pentamethyl-1,8,9,10-tetraphenyl-11-sila-tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (77971-18-7)

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 6h;

DOI:10.1016/0022-328X(85)80198-4

upstream raw materials:

2-bromo-3,4,6-trimethylaniline

Downstream raw materials:

(1S,8R)-3,4,6,11,11-Pentamethyl-1,8-diphenyl-11-sila-tricyclo[6.2.1.0^2,7]undeca-2⁽⁷⁾,3,5,9-tetraene

(1S,8R)-3,4,6,11,11-Pentamethyl-1,8,9,10-tetraphenyl-11-sila-tricyclo[6.2.1.0^2,7]undeca-2⁽⁷⁾,3,5,9-tetraene