2'-Fluoro-4-pentyl-4''-propyl-1,1':4',1''-terphenyl

Base Information

• Chemical Name: 2'-Fluoro-4-pentyl-4''-propyl-1,1':4',1''-terphenyl
• CAS No.: 95759-51-6
• Molecular Formula: C₂₆H₂₉F
• Molecular Weight: 360.515
• DSSTox Substance ID: DTXSID20591869
• Nikkaji Number: J2.056.021E
• Wikidata: Q82485737
• Mol file: 95759-51-6.mol

Synonyms:95759-51-6;2'-Fluoro-4-pentyl-4''-propyl-1,1':4',1''-terphenyl;2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene;1,1':4',1''-Terphenyl, 2'-fluoro-4-pentyl-4''-propyl-;1,1':4',1''-Terphenyl, 4''-propyl-2'-fluoro-4-pentyl-;1,1':4',1''-Terphenyl,2'-fluoro-4-pentyl-4''-propyl-;2'-Fluoro-4-pentyl-4''-propyl-p-terphenyl;SCHEMBL9510907;C26H29F;DTXSID20591869;SXGOKAUBXXCAAC-UHFFFAOYSA-N;MFCD11045061;AKOS015916344;SB66322;DS-10347;CS-0162631;F1046;N10572;A845460;1,1':4',1''-Terphenyl,4''-propyl-2'-fluoro-4-pentyl-;2'-Fluoro-4-pentyl-4''-propyl-[1,1';4',1'']terphenyl;2~2~-Fluoro-1~4~-pentyl-3~4~-propyl-1~1~,2~1~:2~4~,3~1~-terphenyl

Chemical Property of 2'-Fluoro-4-pentyl-4''-propyl-1,1':4',1''-terphenyl

Chemical Property:

• Melting Point: 51.0 to 55.0 °C
• Boiling Point: 484.6±34.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.013±0.06 g/cm3(Predicted)
• LogP: 7.84490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 360.225329087
• Heavy Atom Count: 27
• Complexity: 389

Purity/Quality:

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

2'-Fluoro-4-pentyl-4''-propyl-1,1':4',1''-terphenyl >98.0%(GC) ^*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=C(C=C(C=C2)C3=CC=C(C=C3)CCC)F

Technology Process of 2'-Fluoro-4-pentyl-4''-propyl-1,1':4',1''-terphenyl

There total 15 articles about 2'-Fluoro-4-pentyl-4''-propyl-1,1':4',1''-terphenyl 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: 64.0%

2'-fluoro-4-pentanoyl-4-propyl-1,1':4',1-terphenyl (97473-24-0) → 2'-fluoro-4-n-pentyl-4'-n-propyl-p-terphenyl (95759-51-6)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In diethylene glycol; at 130 - 180 ℃; for 6h;

Reference yield: 27.0%

bromo(4-propylphenyl)magnesium (87942-08-3) + 4'-n-pentyl-4-bromo-2-fluorobiphenyl (96515-25-2) → 2'-fluoro-4-n-pentyl-4'-n-propyl-p-terphenyl (95759-51-6)

Guidance literature:

1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In tetrahydrofuran; for 24h; Heating;

Reference yield:

1-bromo-3-fluoro-4-phenylbenzene (41604-19-7) → 2'-fluoro-4-n-pentyl-4'-n-propyl-p-terphenyl (95759-51-6)

Guidance literature:

Multi-step reaction with 6 steps

1: magnesium turnings / diethyl ether / 0.5 h / Heating

2: diethyl ether / 0.5 h / Heating

3: phosphorus pentoxide / benzene / 3.5 h / Ambient temperature

4: 2,3-dichloro-5,6-dicyanobenzoquinone / toluene / 3 h / 110 °C

5: 48 percent / anhydrous aluminium chloride / nitrobenzene / 16 h / Ambient temperature

6: 64 percent / hydrazine hydrate, potassium hydroxide / bis-(2-hydroxy-ethyl) ether / 6 h / 130 - 180 °C

With phosphorus pentaoxide; potassium hydroxide; aluminium trichloride; hydrazine hydrate; magnesium; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In diethyl ether; nitrobenzene; toluene; diethylene glycol; benzene;

upstream raw materials:

p-bromo-n-propylbenzene

4'-n-pentyl-4-bromo-2-fluorobiphenyl

bromo(4-propylphenyl)magnesium

2'-fluoro-4-pentanoyl-4-propyl-1,1':4',1-terphenyl

Refernces

• 1、 Chan, L. K. M.,Gray, G. W.,Lacey, D.,Srithanratana, T.,Toyne, K. J.. "Reentrant Nematic and Injected Smectic Behaviour in Binary Mixtures Including Those of Terminally Non-Polar Compounds". . p. 335 - 360. Retrieved 2007/10/02.