4-fluoro-N-phenylaniline

Base Information

• Chemical Name: 4-fluoro-N-phenylaniline
• CAS No.: 330-83-6
• Molecular Formula: C12H10FN
• Molecular Weight: 187.217
• Hs Code.: 2921440090
• European Community (EC) Number: 677-526-8
• DSSTox Substance ID: DTXSID60379047
• Nikkaji Number: J922.505F
• Wikidata: Q82168709
• Mol file: 330-83-6.mol

Synonyms:4-fluoro-N-phenylaniline;4-Fluorodiphenylamine;330-83-6;Benzenamine, 4-fluoro-N-phenyl-;p-fluordiphenylamin;4-fluorophenylaniline;4-fluoro-N-phenyl-aniline;N-(4-Fluorophenyl)aniline;4-Fluoro-N-phenylbenzenamine;SCHEMBL904596;DTXSID60379047;RBWCFTJQRDTIBX-UHFFFAOYSA-N;N-(4-fluorophenyl)-N-phenylamine;MFCD01318538;AKOS006229194;PS-8457;AM20040185;CS-0156100;F0630;T72312;A821610

Chemical Property of 4-fluoro-N-phenylaniline

Chemical Property:

• Melting Point: 38 °C
• Boiling Point: 292.1 °C at 760 mmHg
• Flash Point: 130.5 °C
• PSA: 12.03000
• Density: 1.172 g/cm³
• LogP: 3.64230
• Storage Temp.: 0-10°C
• Solubility.: soluble in Toluene
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.079727485
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

98% ^*data from raw suppliers

4-Fluorodiphenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)F

Technology Process of 4-fluoro-N-phenylaniline

There total 43 articles about 4-fluoro-N-phenylaniline 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%

bromobenzene (108-86-1,52753-63-6) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)aniline (330-83-6)

Guidance literature:

With (1,3-bis(2,6-diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene)Pd(cinnamyl, 3-phenylallyl)Cl; sodium t-butanolate; In neat (no solvent); at 110 ℃; for 12h; Inert atmosphere; Green chemistry;

DOI:10.1002/ejoc.201501616

Reference yield: 96.0%

aniline (62-53-3) + 1-Bromo-4-fluorobenzene (460-00-4) → N-(4-fluorophenyl)aniline (330-83-6)

Guidance literature:

With sodium t-butanolate; Pd catalyst; In toluene; at 110 ℃; for 2h;

Reference yield: 95.0%

chlorobenzene (108-90-7) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)aniline (330-83-6)

Guidance literature:

With C₃₆H₄₅Cl₂N₃OPd; potassium tert-butylate; In 1,4-dioxane; at 90 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1021/om401028d

upstream raw materials:

bromobenzene

4'-fluoroacetanilide

4'-fluorodiphenylamine-2-carboxylic acid

Acetanilid

Downstream raw materials:

3-fluoro-9H-carbazole

3-fluoro-10H-phenothiazine

Refernces

• 1、 Walker, Benjamin R.,Manabe, Shuhei,Brusoe, Andrew T.,Sevov, Christo S.. "Mediator-Enabled Electrocatalysis with Ligandless Copper for Anaerobic Chan-Lam Coupling Reactions". supporting information. p. 6257 - 6265. Retrieved 2021/05/07.
• 2、 Wang, Dan,Wan, Zhaohua,Zhang, Heng,Alhumade, Hesham,Yi, Hong,Lei, Aiwen. "Electrochemical Reductive Arylation of Nitroarenes with Arylboronic Acids". . p. 5399 - 5404. Retrieved 2021/10/20.