Bis(4-fluorophenyl)methanamine

Base Information

• Chemical Name: Bis(4-fluorophenyl)methanamine
• CAS No.: 55095-27-7
• Molecular Formula: C13H11F2N
• Molecular Weight: 219.234
• European Community (EC) Number: 858-389-5
• DSSTox Substance ID: DTXSID201252426
• Nikkaji Number: J1.412.791G
• Wikidata: Q27451516
• Mol file: 55095-27-7.mol

Synonyms:Bis(4-fluorophenyl)methanamine;55095-27-7;1,1-bis(4-fluorophenyl)methanamine;4,4'-difluorobenzhydrylamine;4-fluoro-alpha-(4-fluorophenyl)benzenemethanamine;SCHEMBL933502;4,4'-di-fluorobenzhydrylamine;4,4'-difluoro-benzhydrylamine;bis(4-fluorophenyl)methyl amine;[bis(4-fluorophenyl)methyl]amine;WRKGTUUHIURRMW-UHFFFAOYSA-N;DTXSID201252426;1,1-Bis(4-fluorophenyl)methaneamine;MFCD03076836;1,1-bis(4-fluorophenyl) methaneamine;AKOS000169504;SB79060;BS-14063;EN300-54918;Q27451516

Chemical Property of Bis(4-fluorophenyl)methanamine

Chemical Property:

• Boiling Point: 102 - 105 °C (0.2 mmHg)
• PKA: 8.23±0.10(Predicted)
• PSA: 26.02000
• Density: 1.206±0.06 g/cm3(Predicted)
• LogP: 3.71320
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.08595568
• Heavy Atom Count: 16
• Complexity: 184

Purity/Quality:

Bis(4-fluorophenyl)methanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)N)F

Technology Process of Bis(4-fluorophenyl)methanamine

There total 12 articles about Bis(4-fluorophenyl)methanamine 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: 100.0%

Phenyl N-(4,4'-difluorobenzhydryl)carbamate (285129-93-3) → bis(4-fluorophenyl)methanamine (55095-27-7)

Guidance literature:

With lithium hydroxide; water; In acetonitrile; at 50 ℃; for 3h;

DOI:10.1055/s-2000-6391

Reference yield: 93.5%

N-[bis(4-fluorophenyl)methyl]formamide (648893-89-4) → bis(4-fluorophenyl)methanamine (55095-27-7)

Guidance literature:

N-[bis(4-fluorophenyl)methyl]formamide; With hydrogenchloride; methanol; water; at 90 ℃; for 1.5h;

With sodium hydroxide; In water;

Reference yield: 86.0%

→ bis(4-fluorophenyl)methanamine (55095-27-7)

Guidance literature:

With acetic acid; zinc; at 0 - 20 ℃; for 4h; Inert atmosphere;

upstream raw materials:

Phenyl N-(4,4'-difluorobenzhydryl)carbamate

4,4’-difluorobenzophenone oxime

4,4'-Difluorobenzophenone

4,4'-difluorobenzhydryl alcohol

Downstream raw materials:

N,N'-Diallyl-6-(4-{[bis-(4-fluoro-phenyl)-methyl]-amino}-piperidin-1-yl)-[1,3,5]triazine-2,4-diamine

N-Allyl-6-(4-{[bis-(4-fluoro-phenyl)-methyl]-amino}-piperidin-1-yl)-N'-propyl-[1,3,5]triazine-2,4-diamine

6-(4-{[Bis-(4-fluoro-phenyl)-methyl]-amino}-piperidin-1-yl)-N,N'-bis-((E)-but-2-enyl)-[1,3,5]triazine-2,4-diamine

N²,N⁴-Diallyl-6-(4-{[bis-(4-fluoro-phenyl)-methyl]-amino}-piperidin-1-yl)-pyrimidine-2,4-diamine

Refernces

• 1、 Wang, Hongyu,Man, Yunquan,Wang, Kaiye,Wan, Xiuyan,Tong, Lili,Li, Na,Tang, Bo. "Hydrogen bond directed aerobic oxidation of amines via photoredox catalysis". supporting information. p. 10989 - 10992. Retrieved 2018/10/08.
• 2、 -. "DOPAMINE D2 RECEPTOR LIGANDS". Page/Page column 115; 117; 125; 126; 130. . Retrieved 2016/07/05.