4-Pentyl-4'-iodobiphenyl

Base Information

• Chemical Name: 4-Pentyl-4'-iodobiphenyl
• CAS No.: 69971-79-5
• Molecular Formula: C17H19I
• Molecular Weight: 350.242
• DSSTox Substance ID: DTXSID20499533
• Nikkaji Number: J891.196G
• Wikidata: Q72500250
• Mol file: 69971-79-5.mol

Synonyms:4-PENTYL-4'-IODOBIPHENYL;69971-79-5;1-iodo-4-(4-pentylphenyl)benzene;4-iodo-4'-pentyl-1,1'-biphenyl;4'-Iodo-4-pentyl-biphenyl;4-iodo-4'-n-pentylbiphenyl;DTXSID20499533;MFCD00445195;AS-76723;CS-0152313;FT-0764181;F16560;A866704

Chemical Property of 4-Pentyl-4'-iodobiphenyl

Chemical Property:

• PSA: 0.00000
• Density: 1.351 g/cm³
• LogP: 5.69090
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 350.05315
• Heavy Atom Count: 18
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

4-Pentyl-4'-iodobiphenyl 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I

Technology Process of 4-Pentyl-4'-iodobiphenyl

There total 11 articles about 4-Pentyl-4'-iodobiphenyl 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: 84.0%

4-amino-4'-n-pentylbiphenyl (60040-14-4) → 4-iodoo-4'-n-pentylbiphenyl (69971-79-5)

Guidance literature:

4-amino-4'-n-pentylbiphenyl; With sulfuric acid; sodium nitrite; In water; at 0 - 5 ℃; for 2h;

With urea; In water; at 0 - 5 ℃;

With potassium iodide; In water; for 1h; Heating;

DOI:10.1021/jo3009897

Reference yield: 71.9%

1-pentyl-4-phenylbenzene (7116-96-3) → 4-iodoo-4'-n-pentylbiphenyl (69971-79-5)

Guidance literature:

With sulfuric acid; iodine; iodic acid; In tetrachloromethane; water; acetic acid; at 80 ℃; for 10h;

Reference yield:

4-bromo-1,1'-biphenyl (92-66-0) → 4-iodoo-4'-n-pentylbiphenyl (69971-79-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1) Mg, 2) CuBr*Me₂S / y / 1) THF, reflux, 90 min, 2) reflux, 20 h

2: 69 percent / Br₂, Fe / CCl₄ / 1.5 h

3: 1) n-butyllithium, 2) I₂ / 1) THF, hexane, -78 deg C, 30 min, 2) to RT overnight

With n-butyllithium; copper(I) bromide dimethylsulfide complex; bromine; iodine; iron; magnesium; y; In tetrachloromethane;

upstream raw materials:

1-pentyl-4-phenylbenzene

4-(4-pentylphenyl)bromobenzene

biphenyl

1-[1,1'-biphenyl]-4-yl-1-pentanone

Downstream raw materials:

4-Octoxy-4-pentylterphenyl

4S-[2,6-difluoro-4-(2-methyl-1-butyl)phenyl]ethynyl-4'-pentylbiphenyl

4S-[2-fluoro-4-(2-methyl-1-butyl)phenyl]ethynyl-4'-pentylbiphenyl

4-ethynyl-4′-pentyl-1,1′-biphenyl

Refernces

• 1、 Herman, Jakub,Kula, Przemys?aw. "New low polar tolane cholesterics designed for infrared applications". . p. 84231 - 84235. Retrieved 2016/10/06.
• 2、 Bailey, A. L.,Bates, Gordon S.. "Synthesis of Isocyano and (Haloalkynyl)Biphenyls: New Thermotropic Liquid Crystals". . p. 417 - 428. Retrieved 2007/10/02.