3'-Fluoro-4'-(octyloxy)[1,1'-biphenyl]-4-carboxylic acid

Base Information

• Chemical Name: 3'-Fluoro-4'-(octyloxy)[1,1'-biphenyl]-4-carboxylic acid
• CAS No.: 1480-22-4
• Molecular Formula: C₂₁H₂₅FO₃
• Molecular Weight: 344.426
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80597221
• Wikidata: Q82492727
• Mol file: 1480-22-4.mol

Synonyms:1480-22-4;3'-Fluoro-4'-(octyloxy)[1,1'-biphenyl]-4-carboxylic acid;4-(3-fluoro-4-octoxyphenyl)benzoic acid;SCHEMBL8942999;DTXSID80597221;WUMDMTNUPWTDAM-UHFFFAOYSA-N;3'-fluoro-4'-octyloxybiphenyl-4-carboxylic acid

Chemical Property of 3'-Fluoro-4'-(octyloxy)[1,1'-biphenyl]-4-carboxylic acid

Chemical Property:

• PSA: 46.53000
• LogP: 5.93020
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 344.17877282
• Heavy Atom Count: 25
• Complexity: 379

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)F

Technology Process of 3'-Fluoro-4'-(octyloxy)[1,1'-biphenyl]-4-carboxylic acid

There total 10 articles about 3'-Fluoro-4'-(octyloxy)[1,1'-biphenyl]-4-carboxylic acid 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: 86.4%

→ 3'-fluoro-4'-octyloxybiphenyl-4-carboxylic acid (1480-22-4)

Guidance literature:

Reference yield: 43.0%

3-fluoro-4-octyloxyphenylboronic acid (123598-51-6) + C10H8BrNO2 (1015698-17-5) → 3'-fluoro-4'-octyloxybiphenyl-4-carboxylic acid (1480-22-4)

Guidance literature:

With sodium hydrogencarbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; for 3h; Heating;

DOI:10.1016/j.tetlet.2008.01.013

Reference yield:

4-methoxycarbonylphenyl bromide (619-42-1) + 1-Bromo-3-fluoro-4-octyloxybenzene (119259-26-6) → 3'-fluoro-4'-octyloxybiphenyl-4-carboxylic acid (1480-22-4)

Guidance literature:

1-Bromo-3-fluoro-4-octyloxybenzene; With iodine; magnesium; In tetrahydrofuran; for 2.66h; Reflux;

With Trimethyl borate; In tetrahydrofuran; for 15h; Cooling;

4-methoxycarbonylphenyl bromide; Further stages;

DOI:10.1016/j.tetlet.2013.11.022

upstream raw materials:

acetic acid-(3-fluoro-4-octyloxy-anilide)

1-Iodooctane

1-fluoro-2-methoxybenzene

2-fluorophenol

Downstream raw materials:

1-(3'-Fluoro-4'-octyloxy-biphenyl-4-yl)-butane-1,3-dione

1-(4-methoxyphenyl)-3-(4'-octyloxy-3'-fluorobiphenyl-4-yl)propane-1,3-dione