3-Fluoro-4-methylanisole

Base Information

• Chemical Name: 3-Fluoro-4-methylanisole
• CAS No.: 405-06-1
• Molecular Formula: C8H9 F O
• Molecular Weight: 140.157
• Hs Code.: 2909309090
• European Community (EC) Number: 689-208-6
• DSSTox Substance ID: DTXSID60379103
• Nikkaji Number: J1.747.708K
• Wikidata: Q72474369
• Mol file: 405-06-1.mol

Synonyms:3-Fluoro-4-methylanisole;405-06-1;2-fluoro-4-methoxy-1-methylbenzene;2-Fluoro-4-methoxytoluene;Benzene, 2-fluoro-4-methoxy-1-methyl-;2-Fluoro-4-Methoxytoluene, 2-Fluoro-4-Methoxy-1-Methylbenzene, 3-Fluoro-4-Methylphenyl Methyl Ether;3-fluoro-4-methyl anisole;SCHEMBL171839;DTXSID60379103;WQOHEWKWIJOAHQ-UHFFFAOYSA-N;BBL102993;MFCD00143163;STL556802;AKOS006228808;AC-3801;AM61964;DS-0568;PS-9033;DITHIENO[2,3-B:3,2-D]THIOPHENE;CS-0153549;FT-0632101;A19869;EN300-155159;1-Fluoro-3-methoxy-6-methylbenzene

Chemical Property of 3-Fluoro-4-methylanisole

Chemical Property:

• Vapor Pressure: 3.16mmHg at 25°C
• Refractive Index: 1.4909
• Boiling Point: 216.2 °C at 760 mmHg
• Flash Point: 90.6 °C
• PSA: 9.23000
• Density: 1.123 g/cm³
• LogP: 2.14270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.063743068
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99%, ^*data from raw suppliers

3-Fluoro-4-methylanisole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)OC)F

Technology Process of 3-Fluoro-4-methylanisole

There total 8 articles about 3-Fluoro-4-methylanisole 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: 92.0%

3-fluoro-4-methyl phenol (452-78-8) + dimethyl sulfate (77-78-1) → 2-fluoro-4-methoxy-1-methylbenzene (405-06-1)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Reflux; Inert atmosphere;

DOI:10.1002/anie.201104361

Reference yield: 65.0%

3-fluoro-4-methyl phenol (452-78-8) + methyl iodide (74-88-4) → 2-fluoro-4-methoxy-1-methylbenzene (405-06-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Inert atmosphere;

Reference yield: 31.0%

5-methoxy-o-toluidine (50868-72-9) → 2-fluoro-4-methoxy-1-methylbenzene (405-06-1)

Guidance literature:

With hydrogenchloride; HBF₄; sodium nitrite; In water;

upstream raw materials:

3-fluoro-4-methyl phenol

p-methylanizole

2-fluoro-4-nitrotoluene

3-fluoro-4-methyl-phenylamine

Downstream raw materials:

di-tert-butyl (2’,4’,6’-triisopropyl-3,6-dimethoxy-[1,1‘-biphenyl]-2-yl)phosphine

2-iodo-2',4',6'-tricyclohexyl-3-methoxy-6-methylbiphenyl

3-fluoro-4-methylphenyl carbonochloridate

3-fluoro-4-methyl phenol

Refernces

• 1、 -. "SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE". Paragraph 1130; 1131; 1132; 1133; 1134. . Retrieved 2018/07/29.
• 2、 Laali, Kenneth K.,Borodkin, Gennady I.. "First application of ionic liquids in electrophilic fluorination of arenes; Selectfluor (F-TEDA-BF4) for "green" fluorination". . p. 953 - 957. Retrieved 2007/10/03.