4'-Fluorobiphenyl-4-carbaldehyde

Base Information

• Chemical Name: 4'-Fluorobiphenyl-4-carbaldehyde
• CAS No.: 60992-98-5
• Molecular Formula: C13H9 F O
• Molecular Weight: 200.212
• Hs Code.: 2913000090
• European Community (EC) Number: 805-465-0
• DSSTox Substance ID: DTXSID50362625
• Nikkaji Number: J1.149.671G
• Wikidata: Q72479401
• Mol file: 60992-98-5.mol

Synonyms:60992-98-5;4'-Fluorobiphenyl-4-carbaldehyde;4-(4-Fluorophenyl)benzaldehyde;4'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde;4'-Fluoro-biphenyl-4-carbaldehyde;4-Fluoro-4'-formylbiphenyl;4'-Fluoro[1,1'-biphenyl]-4-carbaldehyde;4'-Fluoro-biphenyl-4-carboxaldehyde;[1,1'-Biphenyl]-4-carboxaldehyde, 4'-fluoro-;SCHEMBL5800;4-(4'-fluorophenyl)benzaldehyde;DTXSID50362625;4'-fluoro 4-biphenylcarboxaldehyde;4'-Fluorobiphenyl-4-carboxaldehyde;4/'-Fluorobiphenyl-4-carbaldehyde;AMY13643;BCP26622;4\'-Fluoro-biphenyl-4-carbaldehyde;AR2054;MFCD01631912;AKOS000301046;AS-2111;CS-W015624;NCGC00374027-01;AC-23064;A8478;BB 0222405;FT-0640721;4'-fluorobiphenyl-4-carbaldehyde, AldrichCPR;EN300-239522;4'-FLUORO-1,1'-BIPHENYL-4-CARBOXALDEHYDE;F9995-0533

Chemical Property of 4'-Fluorobiphenyl-4-carbaldehyde

Chemical Property:

• Melting Point: 93-97℃
• Boiling Point: 324℃
• Flash Point: >110°(230°F)
• PSA: 17.07000
• Density: 1.173±0.06 g/cm3(Predicted)
• LogP: 3.30520
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.063743068
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-4''-formylbiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-51-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)C2=CC=C(C=C2)F
• Uses: Paroxetine intermediate. Paroxetine related G Paroxetine intermediate. Paroxetine related compound G.

Technology Process of 4'-Fluorobiphenyl-4-carbaldehyde

There total 14 articles about 4'-Fluorobiphenyl-4-carbaldehyde 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: 99.0%

4-fluoroboronic acid (1765-93-1) + 4-bromo-benzaldehyde (1122-91-4) → 4-(4-fluorophenyl)benzaldehyde (60992-98-5)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; toluene; for 8h; Heating;

DOI:10.1016/j.bmc.2008.07.011

Reference yield: 99.0%

4-fluoroboronic acid (1765-93-1) + 4-chlorobenzaldehyde (104-88-1) → 4-(4-fluorophenyl)benzaldehyde (60992-98-5)

Guidance literature:

With bis(1,1'-ethylene-3,3'-divinylimidazole-2,2'-diylidene)nickel(II) dibromide dihydrate; potassium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 8h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.poly.2018.10.028

Reference yield: 93.0%

4-fluoroboronic acid (1765-93-1) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(4-fluorophenyl)benzaldehyde (60992-98-5)

Guidance literature:

4-hydroxy-benzaldehyde; With fluorosulfonyl fluoride; sodium carbonate; In ethanol; water; at 20 ℃; for 4h;

4-fluoroboronic acid; With sodium carbonate; palladium dichloride; In ethanol; water; at 20 ℃; for 6h;

upstream raw materials:

4-fluoroboronic acid

4-bromo-benzaldehyde

bis(4-fluorophenyl)(hydroxy)borane

4-chlorobenzaldehyde

Downstream raw materials:

(4'-fluoro-[1,1'-biphenyl]-4-yl)methanamine

tert-butyl 3-(((4'-fluorobiphenyl-4-yl)methyl amino)methyl)benzylcarbamate

2-chloro-N-[1'-(4'-fluorobiphenyl-4-ylmethyl)-6-trifluoromethyl-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-3-yl]isonicotinamide

(Z)-3-cyclohexyl-5-[(4'-fluorobiphenyl-4-yl)methylene]-2-thioxothiazolidin-4-one