4-Chloro-1-fluoro-2-methoxybenzene

Base Information

• Chemical Name: 4-Chloro-1-fluoro-2-methoxybenzene
• CAS No.: 1092349-89-7
• Molecular Formula: C₇H₆ClFO
• Molecular Weight: 160.575
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID20591122
• Wikidata: Q82484797
• Mol file: 1092349-89-7.mol

Synonyms:4-Chloro-1-fluoro-2-methoxybenzene;1092349-89-7;5-Chloro-2-fluoroanisole;SCHEMBL15211455;DTXSID20591122;HZOCKBSKQYBWPS-UHFFFAOYSA-N;MFCD00042204;AKOS006275358;BS-30054;CS-0192390

Chemical Property of 4-Chloro-1-fluoro-2-methoxybenzene

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.0091207
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98.5% ^*data from raw suppliers

4-Chloro-1-fluoro-2-methoxybenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)Cl)F

Technology Process of 4-Chloro-1-fluoro-2-methoxybenzene

There total 1 articles about 4-Chloro-1-fluoro-2-methoxybenzene 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:

5-chloro-2-fluorophenol + methyl iodide (74-88-4) → 4-chloro-1-fluoro-2-methoxybenzene (1092349-89-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4.5h;

Reference yield: 95.0%

L-valine ethyl ester (17431-03-7) + 4-chloro-1-fluoro-2-methoxybenzene (1092349-89-7) → C14H20ClNO3

Guidance literature:

With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; In 1,2-dichloro-ethane; at 25 ℃; for 48h; Irradiation; Inert atmosphere;

Reference yield: 65.0%

4-chloro-1-fluoro-2-methoxybenzene (1092349-89-7) + benzoic acid (65-85-0,8013-63-6) → 4-chloro-2-methoxyphenyl benzoate

Guidance literature:

With 3,6‐di‐tert‐butyl‐9‐(2,6‐dimethylphenyl)‐10‐(4‐(trifluoromethyl)phenyl)acridin‐10‐iumtetrafluoroborate; sodium hydrogencarbonate; In 2,2,2-trifluoroethanol; at 45 - 50 ℃; for 18h; Irradiation; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.0c09296

upstream raw materials:

methyl iodide

Downstream raw materials:

5-chloro-2-fluoro-1-methoxy-3-(methylsulfinyl)benzene

5-chloro-2-fluoro-3-methoxybenzenethiol

methyl 4-((5-chloro-2-fluoro-3-methoxyphenyl)sulfanyl)-3-oxobutanoate

5-chloro-2-fluoro-1-methoxy-3-(methylsulfanyl)benzene

Refernces