2-Bromo-4-fluoroanisole

Base Information

• Chemical Name: 2-Bromo-4-fluoroanisole
• CAS No.: 452-08-4
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.026
• Hs Code.: 29093090
• European Community (EC) Number: 610-229-3
• NSC Number: 10328
• DSSTox Substance ID: DTXSID00196417
• Nikkaji Number: J308.988F
• Wikidata: Q72455732
• Mol file: 452-08-4.mol

Synonyms:2-Bromo-4-fluoroanisole;452-08-4;2-Bromo-4-fluoro-1-methoxybenzene;Benzene, 2-bromo-4-fluoro-1-methoxy-;MFCD00012014;2-bromo-4-fluoro anisole;1-Bromo-3-fluoro-6-methoxybenzene;NSC10328;2-bromo-4-fluoro-1-methoxy-benzene;2-bromo-4-fluoroanisol;4-fluoro-2-bromanisole;4-fluoro-2-bromoanisole;2-bromo-4-fluoro-anisole;SCHEMBL504965;2-Bromo-4-fluoroanisole, 96%;JIQXVIJARQLCOY-UHFFFAOYSA-;DTXSID00196417;NSC 10328;NSC-10328;2-Bromo-4-fluoro-1-methoxybenzene #;AKOS000179068;AC-3756;AM61991;CS-W001094;PS-8122;2-bromo-4-fluoro-1-(methyloxy)benzene;SY016157;A1704;B1830;FT-0611450;EN300-122020

Chemical Property of 2-Bromo-4-fluoroanisole

Chemical Property:

• Appearance/Colour: Clear slightly yellow liquid
• Refractive Index: n20/D 1.545(lit.)
• Boiling Point: 273.6 °C at 760 mmHg
• Flash Point: 98.3 °C
• PSA: 9.23000
• Density: 1.531 g/cm³
• LogP: 2.59680
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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:

99% ^*data from raw suppliers

2-Bromo-4-fluoro-1-methoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)F)Br
• Uses: 2-Bromo-4-fluoroanisole was used in the synthesis of (5-fluoro-2-methoxyphenyl)methanol.

Technology Process of 2-Bromo-4-fluoroanisole

There total 8 articles about 2-Bromo-4-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: 100.0%

1-fluoro-4-methoxybenzene (459-60-9) → 2-bromo-4-fluoro-1-methoxybenzene (452-08-4)

Guidance literature:

With (CH₃)4Br; In liquid sulphur dioxide; at -23 ℃; Rate constant;

DOI:10.1002/hlca.19830660410

Reference yield: 94.0%

2-bromo-4-fluoro-phenol (496-69-5) + methyl iodide (74-88-4) → 2-bromo-4-fluoro-1-methoxybenzene (452-08-4)

Guidance literature:

With potassium carbonate; In acetone; for 6h; Reflux;

DOI:10.1016/j.bmc.2011.05.060

Reference yield: 83.0%

5-fluoro-2-methoxybenzoic acid (394-04-7) → 2-bromo-4-fluoro-1-methoxybenzene (452-08-4)

Guidance literature:

With potassium phosphate; tetrabuthylammonium tribromide; In acetonitrile; at 100 ℃; for 16h;

DOI:10.1039/c8sc01016a

upstream raw materials:

1-fluoro-4-methoxybenzene

5-fluoro-2-methoxy-aniline

4-fluoro-1-methoxy-2-nitrobenzene

2-bromo-4-fluoro-phenol

Downstream raw materials:

5-fluoro-2-methoxybenzaldehyde

5-fluoro-2-methoxy phenol

(5-Fluoro-2-methoxy-phenyl)-(4-trifluoromethyl-phenyl)-methanone

5-fluoro-2-methoxybenzonitrile

Refernces

• 1、 Quibell, Jacob M.,Perry, Gregory J. P.,Cannas, Diego M.,Larrosa, Igor. "Transition-metal-free decarboxylative bromination of aromatic carboxylic acids". . p. 3860 - 3865. Retrieved 2018/04/26.
• 2、 Gu, Shuang-Xi,Zhang, Xuan,He, Qiu-Qin,Yang, Liu-Meng,Ma, Xiao-Dong,Zheng, Yong-Tang,Yang, Shi-Qiong,Chen, Fen-Er. "Synthesis and biological evaluation of naphthyl phenyl ethers (NPEs) as novel nonnucleoside HIV-1 reverse transcriptase inhibitors". experimental part. p. 4220 - 4226. Retrieved 2011/08/09.