3-Bromo-5-fluoroanisole

Base Information

• Chemical Name: 3-Bromo-5-fluoroanisole
• CAS No.: 29578-39-0
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.026
• Hs Code.: 2909303890
• European Community (EC) Number: 678-211-8
• Nikkaji Number: J2.175.223A
• Mol file: 29578-39-0.mol

Synonyms:3-Bromo-5-fluoroanisole;29578-39-0;1-Bromo-3-fluoro-5-methoxybenzene;BENZENE, 1-BROMO-3-FLUORO-5-METHOXY-;MFCD01861129;3-Fluoro-5-bromoanisole;3-Bromo-5-fluoro-1-methoxybenzene;SCHEMBL505277;XVNQVSGOIUYOPB-UHFFFAOYSA-N;CL8603;AKOS005259680;AC-3760;CS-W013180;PS-8121;SY007592;A1627;AM20050308;B2945;FT-0601431;1-Bromo-3-fluoro-5-methoxybenzene, AldrichCPR;EN300-204801

Chemical Property of 3-Bromo-5-fluoroanisole

Chemical Property:

• Vapor Pressure: 0.905mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 186.564 °C at 760 mmHg
• Flash Point: 79.268 °C
• PSA: 9.23000
• Density: 1.532 g/cm³
• LogP: 2.59680
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.95861
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98% ^*data from raw suppliers

3-Bromo-5-fluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F,Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)Br)F

Technology Process of 3-Bromo-5-fluoroanisole

There total 2 articles about 3-Bromo-5-fluoroanisole 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: 71.0%

3,5-difluorobromobenzene (461-96-1) + sodium methylate (124-41-4) → 1-bromo-3-fluoro-5-methoxybenzene (29578-39-0)

Guidance literature:

In N,N-dimethyl-formamide; at 0 - 20 ℃; for 24h;

Reference yield:

3-fluoro-5-methoxyphenylamine (2339-58-4) → 1-bromo-3-fluoro-5-methoxybenzene (29578-39-0)

Guidance literature:

Multistep reaction; (i) aq. NaNO₂, aq. HBr, (ii) CuBr;

Reference yield: 96.0%

n-pentylboronic acid (4737-50-2) + 1-bromo-3-fluoro-5-methoxybenzene (29578-39-0) → 1-fluoro-3-methoxy-5-pentylbenzene (1421319-73-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; toluene; at 90 ℃; for 6h; Inert atmosphere;

DOI:10.1021/ol303351y

upstream raw materials:

3-fluoro-5-methoxyphenylamine

3,5-difluorobromobenzene

sodium methylate

Downstream raw materials:

1-(5-Fluor-3-methoxyphenyl)-1-propanol

4-bromo-2-fluoro-6-methoxy-benzaldehyde

1-allyl-3-fluoro-5-methoxy-benzene

1-(3-fluoro-5-methoxyphenyl)piperazine