4-Fluoro-3-methoxyphenol

Base Information

• Chemical Name: 4-Fluoro-3-methoxyphenol
• CAS No.: 117902-15-5
• Molecular Formula: C7H7FO2
• Molecular Weight: 142.13
• Hs Code.: 2909500000
• European Community (EC) Number: 634-504-2
• DSSTox Substance ID: DTXSID20556170
• Wikidata: Q72474164
• Mol file: 117902-15-5.mol

Synonyms:4-Fluoro-3-methoxyphenol;117902-15-5;4-fluoro-3-methoxy-phenol;MFCD10698649;3-METHOXY-4-FLUOROPHENOL;Phenol, 4-fluoro-3-methoxy-;SCHEMBL15354;DTXSID20556170;WZUOZXFYRZFFEW-UHFFFAOYSA-N;BCP10034;CL8504;AKOS006304395;AM82866;CS-W022178;MB08744;AS-20029;SY045539;EN300-258683;A803845

Chemical Property of 4-Fluoro-3-methoxyphenol

Chemical Property:

• Vapor Pressure: 0.0112mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 253.8 °C at 760 mmHg
• PKA: 9.60±0.18(Predicted)
• Flash Point: 123.8 °C
• PSA: 29.46000
• Density: 1.224 g/cm³
• LogP: 1.53990
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.04300762
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluoro-3-methoxyphenol

There total 10 articles about 4-Fluoro-3-methoxyphenol 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: 69.0%

4-fluoro-3-methoxyphenylboronic acid (854778-31-7) → 4-hydroxy-2-methoxy-fluorobenzene (117902-15-5)

Guidance literature:

With 1,10-Phenanthroline; copper(ll) sulfate pentahydrate; potassium hydroxide; In water; at 25 ℃; for 18h;

DOI:10.1021/acs.jmedchem.5b00066

Reference yield: 55.0%

→ 4-hydroxy-2-methoxy-fluorobenzene (117902-15-5)

Guidance literature:

Reference yield: 46.7%

4-fluoro-3-methoxyaniline (64465-53-8) → 4-hydroxy-2-methoxy-fluorobenzene (117902-15-5)

Guidance literature:

With sulfuric acid; sodium nitrite; at 0 - 100 ℃; for 0.5h;

upstream raw materials:

1,3-dimethoxy-4-fluorobenzene

1,3-Dimethoxybenzene

3,4-difluorophenol

4-(benzyloxy)-1,2-difluorobenzene

Downstream raw materials:

4-(4-fluoro-3-methoxyphenoxy)benzonitrile

2-bromo-4-fluoro-5-methoxyphenol

3-(5-{5-[(4-fluoro-3-methoxyphenoxy)methyl]-1-methyl-1H-pyrazol-4-yl}-1,2,4-oxadiazol-3-yl)benzenesulfonamide

C₂₁H₁₅F₄NO₅

Refernces

• 1、 -. "3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS". . . Retrieved 2018/02/28.
• 2、 -. "TRIAZOLES AS KV3 INHIBITORS". Page/Page column 70 ; 71. . Retrieved 2014/01/07.