3-Chloro-2-fluoroanisole

Base Information

• Chemical Name: 3-Chloro-2-fluoroanisole
• CAS No.: 261762-56-5
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 2909309090
• European Community (EC) Number: 670-714-0
• DSSTox Substance ID: DTXSID00378574
• Wikidata: Q72450444
• Mol file: 261762-56-5.mol

Synonyms:3-Chloro-2-fluoroanisole;261762-56-5;1-chloro-2-fluoro-3-methoxybenzene;MFCD01631570;Benzene, 1-chloro-2-fluoro-3-methoxy-;SCHEMBL1728265;DTXSID00378574;CVFVXCYDOOGQCJ-UHFFFAOYSA-N;AKOS006229384;CS-W021315;PS-8770;AM20050265;FT-0676171;METHYL4-[(PHENYLTHIO)METHYL]BENZOATE;A818259

Chemical Property of 3-Chloro-2-fluoroanisole

Chemical Property:

• Refractive Index: 1.5190
• Boiling Point: 197.5 °C at 760 mmHg
• Flash Point: 73.2 °C
• PSA: 9.23000
• Density: 1.239 g/cm³
• LogP: 2.48770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• 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%min ^*data from raw suppliers

3-Chloro-2-fluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-2-fluoroanisole

There total 1 articles about 3-Chloro-2-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:

1,3-dichloro-2-fluoro-4-nitrobenzene (393-79-3) + sodium methylate (124-41-4) → 1-chloro-2-fluoro-3-methoxy-benzene (261762-56-5)

Guidance literature:

1,3-dichloro-2-fluoro-4-nitrobenzene; sodium methylate; In methanol; at 40 - 50 ℃; for 2h;

With Raney nickel catalyst; In methanol; at 40 - 50 ℃; for 4h; under 7500.75 - 11251.1 Torr; Temperature; Reagent/catalyst; Solvent; Further stages; Autoclave; Inert atmosphere;

Reference yield: 79.0%

1-chloro-2-fluoro-3-methoxy-benzene (261762-56-5) → 1-bromo-2-chloro-3-fluoro-4-methoxy-benzene (909122-27-6)

Guidance literature:

With bromine; In chlorobenzene; at 5 - 25 ℃; for 9h; Inert atmosphere;

Reference yield: 70.0%

Isobutyronitrile (78-82-0) + 1-chloro-2-fluoro-3-methoxy-benzene (261762-56-5) → 2-(2-chloro-6-methoxyphenyl)-2-methylpropanenitrile

Guidance literature:

With potassium hexamethylsilazane; In toluene; at 75 ℃; for 16h;

DOI:10.1021/acs.orglett.9b00489

upstream raw materials:

1,3-dichloro-2-fluoro-4-nitrobenzene

sodium methylate

Downstream raw materials:

2-chloro-3-fluoro-4-methoxybenzaldehyde

4-chloro-3-fluoro-2,N-dimethoxy-N-methylbenzamide

1-bromo-2-chloro-3-fluoro-4-methoxy-benzene

Refernces