3-Fluoro-2-methylphenol

Base Information

• Chemical Name: 3-Fluoro-2-methylphenol
• CAS No.: 443-87-8
• Molecular Formula: C7H7FO
• Molecular Weight: 126.13
• Hs Code.: 2908199090
• European Community (EC) Number: 675-090-3
• NSC Number: 190309
• DSSTox Substance ID: DTXSID70307159
• Wikidata: Q72474736
• Mol file: 443-87-8.mol

Synonyms:3-Fluoro-2-methylphenol;443-87-8;Phenol, 3-fluoro-2-methyl-;MFCD03788546;2-methyl-3-fluorophenol;fluorocresol;NSC190309;Cc1c(F)cccc1O;3-Fluoro-2-Methyl Phenol;SCHEMBL910816;DTXSID70307159;BBL102766;STL556572;3-Fluoro-2-methylphenol, AldrichCPR;AKOS005063621;AC-3799;AM61553;CS-W003104;NSC-190309;PS-9177;SY023068;A1697;FT-0647474;EN300-1615087;Z838919472

Chemical Property of 3-Fluoro-2-methylphenol

Chemical Property:

• Melting Point: 53.2-53.9
• Boiling Point: 187.9 °C at 760 mmHg
• PKA: 9.32±0.10(Predicted)
• Flash Point: 78.5 °C
• PSA: 20.23000
• Density: 1.164 g/cm³
• LogP: 1.83970
• Storage Temp.: Sealed in dry,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:

99% ^*data from raw suppliers

3-Fluoro-2-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; T
• Hazard Codes: Xi,T,Xn
• Statements: 22-37/38-41-51
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC=C1F)O
• Uses: is used in perparation of indole-like derivatives with ROR-gamma-t regulating activity for prevention and treatment of ROR-gamma-t-related diseases.

Technology Process of 3-Fluoro-2-methylphenol

There total 8 articles about 3-Fluoro-2-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: 83.2%

C20H17FO → 3-fluoro-2-methylphenol (443-87-8)

Guidance literature:

With ethanol; 5%-palladium/activated carbon; for 12h; under 750.075 Torr;

Reference yield: 79.0%

C14H13FO → 3-fluoro-2-methylphenol (443-87-8)

Guidance literature:

With ammonium formate; palladium 10% on activated carbon; In ethanol; at 90 ℃; for 3h;

Reference yield:

3-fluoro-2-methylaniline (443-86-7) → 2,6-difluorotoluene (443-84-5) + 3-fluoro-2-methylphenol (443-87-8)

Guidance literature:

upstream raw materials:

3-fluoro-2-methylaniline

1-fluoro-2-methyl-3-nitrobenzene

2,6-difluorotoluene

Downstream raw materials:

C₁₉H₂₂FN₃O₃

Refernces

• 1、 -. "9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS". Page/Page column 24. . Retrieved 2010/11/26.
• 2、 -. "Synthesis intermediates containing a hexane ring and processes for their preparation". . . Retrieved 2008/06/13.