3,5-Difluoro-4-methoxyphenol

Base Information

• Chemical Name: 3,5-Difluoro-4-methoxyphenol
• CAS No.: 443-42-5
• Molecular Formula: C7H6F2O2
• Molecular Weight: 160.12
• Hs Code.: 2909500000
• European Community (EC) Number: 684-264-8
• DSSTox Substance ID: DTXSID701309076
• Wikidata: Q106902692
• Mol file: 443-42-5.mol

Synonyms:3,5-Difluoro-4-methoxyphenol;443-42-5;3,5-Difluoro-4-methoxy-phenol;SCHEMBL10228076;WPNHIYWMMCVBGE-UHFFFAOYSA-N;DTXSID701309076;MFCD04115918;AKOS015956508;JS-4273;DB-347834;CS-0195321;N12279;EN300-2518438;A872554;Z1255416171

Chemical Property of 3,5-Difluoro-4-methoxyphenol

Chemical Property:

• Melting Point: 67-70℃
• PSA: 29.46000
• LogP: 1.67900
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 160.03358575
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Difluoro-4-methoxyphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1F)O)F

Technology Process of 3,5-Difluoro-4-methoxyphenol

There total 11 articles about 3,5-Difluoro-4-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:

1,3-difluoro-2-methoxybenzene (437-82-1) → 2,4-difluoro-3-methoxyphenol + 3,5-difluoro-4-methoxyphenol (443-42-5)

Guidance literature:

1,3-difluoro-2-methoxybenzene; With Pt(N,N′-dicyclohexylimidazol-2-ylidene)(divinyltetramethylsiloxane); bis(pinacol)diborane; at 80 ℃; for 20h; Inert atmosphere; Sealed tube;

With dihydrogen peroxide; sodium hydroxide; In water; at 0 - 20 ℃; for 0.5h; Overall yield = 24 mg;

DOI:10.1021/jacs.5b07677

Reference yield:

3,5-difluoro-4-methoxyaniline (363-47-3) → 3,5-difluoro-4-methoxyphenol (443-42-5)

Guidance literature:

With sulfuric acid; copper(II) sulfate; xylene; Diazotization;

DOI:10.1021/ja01853a051

Reference yield:

1,3-difluoro-2-methoxybenzene (437-82-1) → 3,5-difluoro-4-methoxyphenol (443-42-5)

Guidance literature:

Multi-step reaction with 3 steps

1: concentrated H₂SO₄; HNO₃

2: platinum; methanol / Hydrogenation

3: aqueous H₂SO₄; aqueous CuSO₄-solution; xylene / Diazotization

With methanol; sulfuric acid; nitric acid; copper(II) sulfate; platinum; xylene;

DOI:10.1021/ja01853a051

upstream raw materials:

3,5-difluoro-4-methoxyaniline

1,3-difluoro-2-methoxybenzene

1,3-difluoro-2-methoxy-5-nitrobenzene

3,5-difluoro-4-methoxybenzoic acid

Downstream raw materials:

5-(2,6-diiodo-4-nitro-phenoxy)-1,3-difluoro-2-methoxy-benzene

4-(3,5-difluoro-4-methoxy-phenoxy)-3,5-diiodo-aniline; hydrochloride

Refernces

• 1、 Furukawa, Takayuki,Tobisu, Mamoru,Chatani, Naoto. "C-H borylation by platinum catalysis". . p. 332 - 342. Retrieved 2017/05/09.
• 2、 Furukawa, Takayuki,Tobisu, Mamoru,Chatani, Naoto. "C-H Functionalization at Sterically Congested Positions by the Platinum-Catalyzed Borylation of Arenes". supporting information. p. 12211 - 12214. Retrieved 2015/10/12.