Benzenemethanamine, 2,3,4,5,6-pentafluoro-

Base Information

• Chemical Name: Benzenemethanamine, 2,3,4,5,6-pentafluoro-
• CAS No.: 1548-77-2
• Molecular Formula: C7H4F5N
• Molecular Weight: 197.107
• DSSTox Substance ID: DTXSID50395519
• Nikkaji Number: J1.463.046E
• Wikidata: Q82195651
• Mol file: 1548-77-2.mol

Synonyms:1548-77-2;Pentafluorobenzylamine;(Perfluorophenyl)methanamine;Benzenemethanamine, 2,3,4,5,6-pentafluoro-;2,3,4,5,6-pentafluorobenzylamine;(pentafluorophenyl)methanamine;SCHEMBL554229;DTXSID50395519;MFCD01166247;AKOS009131968;BB 0262775;EN300-182479

Chemical Property of Benzenemethanamine, 2,3,4,5,6-pentafluoro-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 197.02638994
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)N
• Use Description: Benzenemethanamine, 2,3,4,5,6-pentafluoro-, is a chemical compound with limited practical applications beyond its use in chemical research and synthesis. In the field of organic chemistry, it can be employed as a reagent for various reactions, serving as a building block for the creation of specialty compounds with unique fluorinated properties. Its role primarily revolves around its utilization as a chemical intermediate, aiding in the development of fluorinated organic molecules for research purposes. However, due to its specialized fluorinated structure, it does not have widespread applications in other fields and is primarily valuable in the context of chemical research and organic synthesis, contributing to advancements in the understanding of fluorine chemistry and the creation of specialized compounds for specific research needs.

Technology Process of Benzenemethanamine, 2,3,4,5,6-pentafluoro-

There total 5 articles about Benzenemethanamine, 2,3,4,5,6-pentafluoro- 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: 98.0%

Pentafluorobenzonitrile (773-82-0) → 2,3,4,5,6-pentafluorobenzylamine (1548-77-2)

Guidance literature:

With borane-THF; In tetrahydrofuran; for 10h; Heating;

Reference yield: 46.0%

2-((perfluorophenyl)methyl)isoindoline-1,3-dione (2561-28-6) → 2,3,4,5,6-pentafluorobenzylamine (1548-77-2)

Guidance literature:

2-((perfluorophenyl)methyl)isoindoline-1,3-dione; With hydrazine; In ethanol; for 2h; Heating;

With hydrogenchloride; In N,N-dimethyl-formamide; for 0.5h; Further stages.; Heating;

DOI:10.1021/ol9905250

Reference yield:

(bromomethyl)pentafluorobenzene (1765-40-8) → 2,3,4,5,6-pentafluorobenzylamine (1548-77-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 76 percent / potassium phthalimide / dimethylformamide / 130 °C

2.1: hydrazine / ethanol / 2 h / Heating

2.2: 46 percent / aq. HCl / dimethylformamide / 0.5 h / Heating

With potassium phtalimide; hydrazine; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/ol9905250

upstream raw materials:

2-((perfluorophenyl)methyl)isoindoline-1,3-dione

2,3,4,5,6-pentafluorobenzamide

Pentafluorobenzonitrile

(bromomethyl)pentafluorobenzene

Downstream raw materials:

N,N'-bis(pentafluorophenylmethyl)-2-amino-4-imino-pent-2-ene

4-isobutoxy-8-(pentafluorobenzamido)-N-(pentafluorobenzyl)quinoline-2-carboxamide

4-isobutoxy-N-(pentafluorobenzyl)-8-(pentafluorophenylureido)quinoline-2-carboxamide

4-isobutoxy-N-(pentafluorobenzyl)-8-(pentafluorobenzylthioureido)-quinoline-2-carboxamide

Refernces

• 1、 Soloshonok, Vadim A.,Catt, Hector T.,Ono, Taizo. "Biomimetic reductive amination under the continuous-flow reaction conditions". body text. p. 261 - 265. Retrieved 2010/04/05.
• 2、 Das, Biplab Kumar,Shibata, Norio,Takeuchi, Yoshio. "Design and synthesis of N-nonpolar nucleobase dipeptides: Application of the Ugi reaction for the preparation of dipeptides havingfluoroarylalkyl groups appended to the nitrogen atom". . p. 197 - 206. Retrieved 2007/10/03.