3-Chloro-4-fluoroanisole

Base Information

• Chemical Name: 3-Chloro-4-fluoroanisole
• CAS No.: 202925-07-3
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID60378575
• Wikidata: Q72450455
• Mol file: 202925-07-3.mol

Synonyms:3-Chloro-4-fluoroanisole;202925-07-3;2-chloro-1-fluoro-4-methoxybenzene;Benzene, 2-chloro-1-fluoro-4-methoxy-;Benzene,2-chloro-1-fluoro-4-methoxy-;SCHEMBL1042563;DTXSID60378575;RWKKEILFRAYSDQ-UHFFFAOYSA-N;MFCD00070778;2-Chloro-1-fluoro-4-methoxy-benzene;AKOS006230562;AM61387;CS-W014329;DS-6323;C2217;FT-0615381;D71212;EN300-226466;A814402

Chemical Property of 3-Chloro-4-fluoroanisole

Chemical Property:

• Vapor Pressure: 0.409mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 202.8 °C at 760 mmHg
• Flash Point: 76.4 °C
• PSA: 9.23000
• Density: 1.239 g/cm³
• LogP: 2.48770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• 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%,99%, ^*data from raw suppliers

3-Chloro-4-fluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-4-fluoroanisole

There total 1 articles about 3-Chloro-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:

sodium 3-chloro-4-fluorophenolate + dimethyl sulfate (77-78-1) → 2-chloro-1-fluoro-4-methoxybenzene (202925-07-3)

Guidance literature:

With methanol;

DOI:10.1021/jo00303a011

Reference yield: 90.0%

2-chloro-1-fluoro-4-methoxybenzene (202925-07-3) + benzoic acid (65-85-0,8013-63-6) → 2-chloro-4-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

Reference yield: 86.0%

L-valine ethyl ester (17431-03-7) + 2-chloro-1-fluoro-4-methoxybenzene (202925-07-3) → (S)-ethyl 2-(2-chloro-4-methoxyphenylamino)-3-methylbutanoate

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;

upstream raw materials:

dimethyl sulfate

Downstream raw materials:

2-fluoro 5-methoxybenzonitrile

2-(Cyano-phenyl-methyl)-5-methoxy-benzonitrile

1-chloro-2-fluoro-4-iodo-5-methoxybenzene

4-chloro-5-fluoro-2-methoxybenzaldehyde

Refernces