3-Fluoro-4-methylphenol

Base Information

• Chemical Name: 3-Fluoro-4-methylphenol
• CAS No.: 452-78-8
• Molecular Formula: C7H7FO
• Molecular Weight: 126.13
• Hs Code.: 29081990
• DSSTox Substance ID: DTXSID60379128
• Wikidata: Q72474725
• Mol file: 452-78-8.mol

Synonyms:3-Fluoro-4-methylphenol;452-78-8;3-Fluoro-p-cresol;3-Fluoro-4-methyl-phenol;Phenol, 3-fluoro-4-methyl-;MFCD00143164;2-Fluoro-4-hydroxytoluene;3-fluoro-4-methyl phenol;3-fluoranyl-4-methyl-phenol;SCHEMBL257925;DTXSID60379128;GJOOCAXPERKNMN-UHFFFAOYSA-N;CL8489;3-Fluoro-4-methylphenol, AldrichCPR;3-Pentanol, 3-methyl-, 3-benzoate;AKOS005063850;AC-3800;CS-W016564;PS-9184;SY019309;A7142;AM20050177;F0481;FT-0615696;EN300-188121;A826757;J-512498

Chemical Property of 3-Fluoro-4-methylphenol

Chemical Property:

• Vapor Pressure: 0.32mmHg at 25°C
• Melting Point: 72 °C
• Refractive Index: 1.52
• Boiling Point: 194.2 °C at 760 mmHg
• PKA: 9.27±0.18(Predicted)
• Flash Point: 83.6 °C
• PSA: 20.23000
• Density: 1.164 g/cm³
• LogP: 1.83970
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.048093005
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 21/22-34-52-36-22
• Safety Statements: 26-36/37/39-60-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)O)F
• Uses: 3-FLUORO-4-METHYLPHENOL is a phenolic derivative and can be used as a pharmaceutical intermediate.

Technology Process of 3-Fluoro-4-methylphenol

There total 4 articles about 3-Fluoro-4-methylphenol 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: 75.0%

2-fluoro-4-methoxy-1-methylbenzene (405-06-1) → 3-fluoro-4-methylphenyl carbonochloridate (331746-01-1) + 3-fluoro-4-methyl phenol (452-78-8)

Guidance literature:

With boron tribromide; In dichloromethane;

Reference yield: 44.8%

3-fluoro-4-methyl-phenylamine (452-77-7) → 3-fluoro-4-methyl phenol (452-78-8)

Guidance literature:

With sodium nitrate; sulfuric acid; water; at 0 - 80 ℃; for 6h;

Reference yield:

2-fluoro-4-nitrotoluene (1427-07-2) → 3-fluoro-4-methyl phenol (452-78-8)

Guidance literature:

Multi-step reaction with 2 steps

1: platinum; ethanol / Hydrogenation

2: aqueous H₂SO₄; NaNO₂ / anschliessendes Erhitzen

With ethanol; sulfuric acid; platinum; sodium nitrite;

DOI:10.1021/ja01160a113

upstream raw materials:

3-fluoro-4-methyl-phenylamine

2-fluoro-4-nitrotoluene

2-fluoro-4-methoxy-1-methylbenzene

Downstream raw materials:

5-fluoro-4-methyl-2-nitrophenol

2-amino-5-fluoro-4-methylphenol

2-fluoro-6-hydroxy-3-methyl-benzaldehyde

4-fluoro-2-hydroxy-5-methyl-benzaldehyde

Refernces

• 1、 -. "Liquid crystal compounds exhibiting negative anisotropy of permittivity". . . Retrieved 2008/06/13.