2-(3,5-Difluorophenyl)ethanamine

Base Information

• Chemical Name: 2-(3,5-Difluorophenyl)ethanamine
• CAS No.: 311346-60-8
• Molecular Formula: C8H9F2N
• Molecular Weight: 157.163
• Hs Code.: 2921499090
• European Community (EC) Number: 838-039-8
• DSSTox Substance ID: DTXSID90394900
• Wikidata: Q72463840
• Mol file: 311346-60-8.mol

Synonyms:2-(3,5-difluorophenyl)ethanamine;311346-60-8;2-(3,5-Difluorophenyl)ethylamine;2-(3,5-difluorophenyl)ethan-1-amine;Benzeneethanamine,3,5-difluoro-(9CI);Benzeneethanamine, 3,5-difluoro- (9CI);3,5-Difluorophenethylamine;SCHEMBL1014548;DTXSID90394900;WRPAZHKOVLYSCH-UHFFFAOYSA-N;MFCD01529880;2-(3,5-difluoro-phenyl)-ethylamine;AKOS011239956;AB09183;AT21562;FS-5417;CS-0100868;EN300-61502;Z905065808

Chemical Property of 2-(3,5-Difluorophenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.646mmHg at 25°C
• Refractive Index: 1.497
• Boiling Point: 187 °C at 760 mmHg
• PKA: 9.35±0.10(Predicted)
• Flash Point: 82.1 °C
• PSA: 26.02000
• Density: 1.169 g/cm³
• LogP: 2.16630
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 157.07030562
• Heavy Atom Count: 11
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

2-(3,5-Difluorophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)CCN

Technology Process of 2-(3,5-Difluorophenyl)ethanamine

There total 1 articles about 2-(3,5-Difluorophenyl)ethanamine 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:

2-(3,5-difluorophenyl)acetonitrile (122376-76-5) → 2-(3,5-difluorophenyl)ethan-1-amine (311346-60-8)

Guidance literature:

With borane; In tetrahydrofuran; Heating / reflux;

Reference yield: 83.0%

2-(3,5-difluorophenyl)ethan-1-amine (311346-60-8) + 4-tert-Butylbenzaldehyde (939-97-9) → (4-tert-butyl-benzyl)-[2-(3,5-difluoro-phenyl)-ethyl]-amine (875305-23-0)

Guidance literature:

2-(3,5-difluorophenyl)ethan-1-amine; 4-tert-Butylbenzaldehyde; In methanol; at 20 ℃; for 4.5h; Heating / reflux;

With sodium tetrahydroborate; In methanol; at 20 ℃; for 2.58h; Heating / reflux;

With hydrogenchloride; In methanol; water; at 20 ℃;

Reference yield: 36.3%

2-(3,5-difluorophenyl)ethan-1-amine (311346-60-8) + di-tert-butyl dicarbonate (24424-99-5) → N-boc-2-(3,5-difluorophenyl)ethylamine (840481-55-2)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 48h;

upstream raw materials:

2-(3,5-difluorophenyl)acetonitrile

Downstream raw materials:

[5-benzyloxycarbonylamino-6-(5-{4-[2-(3,5-difluoro-phenyl)-ethylcarbamoyl]-benzyl}-[1,2,4]oxadiazol-3-yl)-6-hydroxy-hexyl]-carbamic acid tert-butyl ester

N-boc-2-(3,5-difluorophenyl)ethylamine

(4-tert-butyl-benzyl)-[2-(3,5-difluoro-phenyl)-ethyl]-amine

C₂₀H₁₈F₂N₂O₄

Refernces

• 1、 -. "SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF". Page/Page column 57. . Retrieved 2010/02/10.