4-(Heptyloxy)-4'-biphenylcarboxylic acid

Base Information

• Chemical Name: 4-(Heptyloxy)-4'-biphenylcarboxylic acid
• CAS No.: 59748-17-3
• Molecular Formula: C20H24O3
• Molecular Weight: 312.409
• Hs Code.: 2918990090
• European Community (EC) Number: 629-783-2
• DSSTox Substance ID: DTXSID90403248
• Nikkaji Number: J3.224.954J
• Wikidata: Q82206867
• Pharos Ligand ID: 6ZXQMBJ9CKBZ
• ChEMBL ID: CHEMBL470588
• Mol file: 59748-17-3.mol

Synonyms:59748-17-3;4-(4-heptoxyphenyl)benzoic Acid;4-(Heptyloxy)-4'-biphenylcarboxylic acid;4'-(HEPTYLOXY)-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID;CHEMBL470588;4-n-Heptyloxybiphenyl-4'-carboxylic acid;4'-(heptyloxy)biphenyl-4-carboxylic acid;4'-heptyloxy-4-biphenylcarboxylic acid;SCHEMBL2038307;[1,1'-Biphenyl]-4-carboxylic acid, 4'-(heptyloxy)-;DTXSID90403248;BDDYPNQQJHNKSC-UHFFFAOYSA-N;BDBM50413254;MFCD00799362;AKOS001483082;4'-heptyloxybiphenyl-4-carboxylic acid;4-heptyloxy-4'-biphenylcarboxylic acid;4'-heptyloxy-biphenyl-4-carboxylic acid;NCGC00341550-01;4-n-heptyloxy-4'-biphenylcarboxylic acid;FT-0654893;Y13615;AB01332555-02;4'-(heptyloxy)-1,1'-biphenyl-4-carboxylic acid;A832452;4'-(Heptyloxy)[1,1'-biphenyl]-4-carboxylic acid;4'-(HEPTYLOXY)-[1,1'-BIPHENYL]-4-CARBOXYLICACID

Chemical Property of 4-(Heptyloxy)-4'-biphenylcarboxylic acid

Chemical Property:

• Boiling Point: 471.9 °C at 760 mmHg
• Flash Point: 164.2 °C
• PSA: 46.53000
• Density: 1.076 g/cm³
• LogP: 5.40100
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 312.17254462
• Heavy Atom Count: 23
• Complexity: 326

Purity/Quality:

98%Min ^*data from raw suppliers

4-(HEPTYLOXY)-4'-BIPHENYLCARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Technology Process of 4-(Heptyloxy)-4'-biphenylcarboxylic acid

There total 4 articles about 4-(Heptyloxy)-4'-biphenylcarboxylic 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: 91.0%

1-Bromoheptane (629-04-9) + 4'-Hydroxybiphenyl-4-carboxylic acid (58574-03-1) → 4-(heptyloxy)-4'-biphenylcarboxylic acid (59748-17-3)

Guidance literature:

4'-Hydroxybiphenyl-4-carboxylic acid; With potassium hydroxide; In ethanol; water; for 1h; Reflux;

1-Bromoheptane; With potassium iodide; In ethanol; water; for 36h; Reflux;

With sulfuric acid; In water;

DOI:10.1016/j.tet.2010.03.025

Reference yield:

→ 4'-n-hexyloxybiphenyl-4-carboxylic acid (59748-16-2) + 4-(heptyloxy)-4'-biphenylcarboxylic acid (59748-17-3)

Guidance literature:

Reference yield:

4'-(heptyloxy)(1,1'-biphenyl)-4-carbonitrile (52364-72-4) → 4-(heptyloxy)-4'-biphenylcarboxylic acid (59748-17-3)

Guidance literature:

With sodium hydroxide; In ethylene glycol;

upstream raw materials:

4'-(heptyloxy)(1,1'-biphenyl)-4-carbonitrile

1-Bromoheptane

4'-Hydroxybiphenyl-4-carboxylic acid

Downstream raw materials:

C₄₁H₄₅ClO₇

2,6-dideuterio-4-(((S)-1-((S)-1-((S)-2-methylbutoxy)-1-oxopropan-2-yloxy)-1-oxopropan-2-yloxy)carbonyl)phenyl 4'-(heptyloxy)biphenyl-4-carboxylate

11-{[(4'-heptyloxy-4-biphenylyl)carbonyl]oxy}-1-phenyl-1-undecyne

6-{[(4'-heptyloxy-4-biphenylyl)carbonyl]oxy}-1-phenyl-1-hexyne

Refernces

• 1、 Marini,Domenici,Malanga,Menicagli,Veracini. "Synthesis of deuterium-labelled, optically active, ferroelectric liquid crystals". experimental part. p. 3472 - 3477. Retrieved 2010/06/17.
• 2、 -. "Biphenyl esters and liquid crystalline mixtures comprising them". . . Retrieved 2008/06/13.