2-(4-fluorophenyl)-N-methylethanamine

Base Information

• Chemical Name: 2-(4-fluorophenyl)-N-methylethanamine
• CAS No.: 459-28-9
• Molecular Formula: C9H12 F N
• Molecular Weight: 153.199
• Hs Code.: 2921499090
• European Community (EC) Number: 819-778-5
• UNII: H3YJB6ELXE
• DSSTox Substance ID: DTXSID80276226
• Nikkaji Number: J71.167E
• Wikidata: Q27279611
• ChEMBL ID: CHEMBL476324
• Mol file: 459-28-9.mol

Synonyms:2-(4-fluorophenyl)-N-methylethanamine;459-28-9;[2-(4-fluorophenyl)ethyl](methyl)amine;P-FLUORO-N-METHYLPHENETHYLAMINE;N-Methyl-p-fluorophenethylamine;[2-(4-fluoro-phenyl)-ethyl]-methyl-amine;H3YJB6ELXE;Phenethylamine, p-fluoro-N-methyl-;[2-(4-fluorophenyl)ethyl]methylamine;CHEMBL476324;N-[2-(4-Fluorophenyl)ethyl]-N-methylamine;BENZENEETHANAMINE, 4-FLUORO-N-METHYL-;405-68-5;UNII-H3YJB6ELXE;N-methyl-4-fluorophenethylamine;N-Methyl-beta-(4-fluorophenyl)ethylamine;SCHEMBL681435;DTXSID80276226;NCBPDSPIVAMJIT-UHFFFAOYSA-N;BDBM50262942;MFCD06738717;AKOS000252055;[2-(4-Fluorophenyl)ethyl]-methylamine;AB27731;N-Methyl-2-(4-fluorophenyl)ethylamine;[2-(4-fluorophenyl)-ethyl]methyl-amine;[2-(4-fluorophenyl)-ethyl]-methyl-amine;TS-02041;FT-0691234;FT-0708535;EN300-54013;N-methyl-N-[2-(4-fluoro-phenyl)-ethyl]-amine;A872312;N-METHYL-.BETA.-(4-FLUOROPHENYL)ETHYLAMINE;Q27279611;10018 2-(4-FLUORO PHENYL)-N-METHYL ETHANAMINE;Z138454998

Chemical Property of 2-(4-fluorophenyl)-N-methylethanamine

Chemical Property:

• PSA: 12.03000
• LogP: 1.97850
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 153.095377549
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Fluorophenyl)-N-methylethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC1=CC=C(C=C1)F

Technology Process of 2-(4-fluorophenyl)-N-methylethanamine

There total 20 articles about 2-(4-fluorophenyl)-N-methylethanamine 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:

C16H18FN (864960-86-1) → N-methyl-N-[2-(4-fluoro-phenyl)-ethyl]-amine (459-28-9)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; at 50 ℃;

Reference yield:

4-Fluorophenylacetyl chloride (459-04-1) → N-methyl-N-[2-(4-fluoro-phenyl)-ethyl]-amine (459-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene; water / 0.5 h / 0 - 22 °C / Inert atmosphere

2: borane-THF / tetrahydrofuran / 4 h / Inert atmosphere; Reflux

With borane-THF; In tetrahydrofuran; water; toluene;

DOI:10.1021/ja401610p

Reference yield:

2-(4-Fluorophenyl)ethanol (7589-27-7) → N-methyl-N-[2-(4-fluoro-phenyl)-ethyl]-amine (459-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene; PBr₃ / 100 °C

2: butanol-⁽¹⁾

With phosphorus tribromide; butan-1-ol; benzene;

DOI:10.1021/ja01847a069

upstream raw materials:

(2-bromoethyl)-4-fluorobenzene

methylamine

C₁₆H₁₈FN

2-(4-Fluorophenyl)ethanol

Downstream raw materials:

7-oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-ethyl]-methyl-amide

5-bromo-thiophene-3-carboxylic acid [2-(4-fluorophenyl)-ethyl]-amide

C₁₃H₁₄ClFN₄

2-cyano-2-diazo-N-(4-fluorophenethyl)-N-methylacetamide

Refernces

• 1、 Fan, Shuai,Ding, Yongzheng,Chen, Xiaoxi,Gao, Yuzhen,Fu, Lei,Li, Shangda,Li, Gang. "Palladium-Catalyzed C(sp2)-H Olefination of Free Primary and Secondary 2-Phenylethylamines: Access to Tetrahydroisoquinolines". . p. 13003 - 13012. Retrieved 2019/10/11.
• 2、 Neustadt, Bernard R.,Liu, Hong,Hao, Jinsong,Greenlee, William J.,Stamford, Andrew W.,Foster, Carolyn,Arik, Leyla,Lachowicz, Jean,Zhang, Hongtao,Bertorelli, Rosalia,Fredduzzi, Silva,Varty, Geoffrey,Cohen-Williams, Mary,Ng, Kwokei. "Potent and selective adenosine A2A receptor antagonists: 1,2,4-Triazolo[1,5-c]pyrimidines". scheme or table. p. 967 - 971. Retrieved 2009/09/06.