4-Butoxy-2,3-difluorophenol

Base Information

• Chemical Name: 4-Butoxy-2,3-difluorophenol
• CAS No.: 136239-68-4
• Molecular Formula: C10H12F2O2
• Molecular Weight: 202.2
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID40598113
• Wikidata: Q72513938
• Mol file: 136239-68-4.mol

Synonyms:4-Butoxy-2,3-difluorophenol;136239-68-4;1-Hydroxy-4-butoxy-2,3-difluorobenzene;2,3-difluoro-4-butoxyphenol;SCHEMBL1243321;DTXSID40598113;HQFTTYLLNVHBGT-UHFFFAOYSA-N;C10H12F2O2;MFCD07368023;AKOS015961678;AC-14521;AS-59224;A886852

Chemical Property of 4-Butoxy-2,3-difluorophenol

Chemical Property:

• Vapor Pressure: 0.00451mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 268.9°Cat760mmHg
• PKA: 8.13±0.25(Predicted)
• Flash Point: 130.1°C
• PSA: 29.46000
• Density: 1.19g/cm³
• LogP: 2.84930
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 202.08053595
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

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

4-Butoxy-2,3-difluorophenol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C(=C(C=C1)O)F)F

Technology Process of 4-Butoxy-2,3-difluorophenol

There total 3 articles about 4-Butoxy-2,3-difluorophenol 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: 90.2%

4-butoxy-2,3-difluorobenzeneboronic acid (156487-12-6) → 2,3-difluoro-4-butoxyphenol (136239-68-4)

Guidance literature:

With dihydrogen peroxide; In water; acetic acid; at 25 - 30 ℃; for 2h; Inert atmosphere;

Reference yield:

2,3-difluorophenyl butyl ether (136239-66-2) → 2,3-difluoro-4-butoxyphenol (136239-68-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / cyclohexane / 2 h / -70 - -60 °C / Inert atmosphere

1.2: 2 h / -70 - -60 °C

2.1: dihydrogen peroxide / water / 2 h / 20 - 25 °C

2.2: pH 6 - 7

With n-butyllithium; dihydrogen peroxide; In cyclohexane; water;

Reference yield:

→ 2,3-difluoro-4-butoxyphenol (136239-68-4)

Guidance literature:

upstream raw materials:

4-butoxy-2,3-difluorobenzeneboronic acid

2,3-difluorophenyl butyl ether

Refernces

• 1、 -. "TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE". Page/Page column 43. . Retrieved 2011/01/12.