4-(Hexyloxy)-4'-biphenylcarboxylic acid

Base Information

• Chemical Name: 4-(Hexyloxy)-4'-biphenylcarboxylic acid
• CAS No.: 59748-16-2
• Molecular Formula: C19H22O3
• Molecular Weight: 298.382
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80393684
• Nikkaji Number: J1.968.372I
• Wikidata: Q82192546
• Pharos Ligand ID: N6WSWP5YCDVV
• ChEMBL ID: CHEMBL469323
• Mol file: 59748-16-2.mol

Synonyms:4-(Hexyloxy)-4'-biphenylcarboxylic acid;59748-16-2;4-(4-hexoxyphenyl)benzoic Acid;4-n-Hexyloxybiphenyl-4'-carboxylic acid;CHEMBL469323;4'-(hexyloxy)biphenyl-4-carboxylic acid;SCHEMBL4185457;DTXSID80393684;IWWNTISKHOYKAN-UHFFFAOYSA-N;BDBM50413259;MFCD00600486;4'-hexyloxybiphenyl-4-carboxylic acid;AKOS001483079;4'-hexyloxy-biphenyl-4-carboxylic acid;NCGC00341517-01;EU-0000029;FT-0652558;4'-(hexyloxy)-1,1'-biphenyl-4-carboxylic acid;AB01332446-02;A832451

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

Chemical Property:

• Melting Point: 212.8-213.5 °C
• Boiling Point: 460.5±38.0 °C(Predicted)
• PKA: 4.28±0.10(Predicted)
• PSA: 46.53000
• Density: 1.089±0.06 g/cm3(Predicted)
• LogP: 5.01090
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 298.15689456
• Heavy Atom Count: 22
• Complexity: 313

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

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

There total 9 articles about 4-(Hexyloxy)-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:

4'-Hydroxybiphenyl-4-carboxylic acid (58574-03-1) → 4'-n-hexyloxybiphenyl-4-carboxylic acid (59748-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 97 percent / sulfuric acid / 6 h / Heating

2.1: potassium carbonate / butan-2-one / Heating

2.2: aq. potassium hydroxide / ethanol; H₂O / 0.5 h / Heating

2.3: aq. HCl / H₂O / 3 h / Heating

With sulfuric acid; potassium carbonate; In butanone;

DOI:10.1080/15421400490427421

Reference yield:

4'-hexyloxy-biphenyl-4-carboxylic acid ethyl ester (61922-48-3) → 4'-n-hexyloxybiphenyl-4-carboxylic acid (59748-16-2)

Guidance literature:

With sodium hydroxide; In methanol; Heating;

DOI:10.1039/a910347n

Reference yield:

ethyl 4-hydroxy-4-biphenyl carboxylate (50670-76-3) → 4'-n-hexyloxybiphenyl-4-carboxylic acid (59748-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / Heating

2: aq. NaOH / methanol / Heating

With sodium hydroxide; potassium carbonate; In methanol; acetone; 1: Alkylation / 2: Hydrolysis;

DOI:10.1039/a910347n

upstream raw materials:

4'-(hexyloxy)-4-biphenylcarbonitrile

1-bromo-hexane

4'-Hydroxybiphenyl-4-carboxylic acid

4'-hexyloxy-biphenyl-4-carboxylic acid ethyl ester

Downstream raw materials:

3-formylphenyl 4'-hexyloxybiphenyl-4-carboxylate

Refernces

• 1、 Srinivasan, Murugesan Vijay,Kannan, Palaninathan,Roy, Arun. "Photo and electrically switchable B7 mesophase exhibiting asymmetric bent-core liquid crystals". . p. 1584 - 1590. Retrieved 2013/06/04.
• 2、 Coco, Silverio,Espinet, Pablo,Marcos, Eva. "Mesomorphic trigonal bipyramidal iron(0) isocyanide complexes". . p. 1297 - 1302. Retrieved 2007/10/03.