2-(2,4-Difluorophenyl)ethanamine

Base Information

• Chemical Name: 2-(2,4-Difluorophenyl)ethanamine
• CAS No.: 134672-72-3
• Molecular Formula: C8H9F2N
• Molecular Weight: 157.163
• Hs Code.: 2921499090
• European Community (EC) Number: 620-841-2
• DSSTox Substance ID: DTXSID60395080
• Nikkaji Number: J1.463.038D
• Wikidata: Q72463839
• Mol file: 134672-72-3.mol

Synonyms:5-(4-butoxy-3-chlorophenyl)-N-((2-morpholinopyridin-3-yl)methyl)nicotinamide;A 887826;A-887826;A887826

Chemical Property of 2-(2,4-Difluorophenyl)ethanamine

Chemical Property:

• Boiling Point: 197℃
• PKA: 9.41±0.10(Predicted)
• Flash Point: 87℃
• PSA: 26.02000
• Density: 1.169
• 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: 119

Purity/Quality:

97% ^*data from raw suppliers

2-(2,4-Difluorophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2,4-Difluorophenyl)ethanamine

There total 2 articles about 2-(2,4-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: 67.0%

(2,4-difluorophenyl)acetonitrile (656-35-9) → 2-(2,4-difluorophenyl)ethanamine (134672-72-3)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride; In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield:

→ 2-(2,4-difluorophenyl)ethanamine (134672-72-3)

Guidance literature:

Reference yield: 90.0%

1,1-di(methylsulfanyl)-2-nitroethylene (13623-94-4) + 2-(2,4-difluorophenyl)ethanamine (134672-72-3) → 1,1-bis((2,4-difluorophenethyl)amino)-2-nitroethylene

Guidance literature:

In ethanol; for 12h; Reflux;

upstream raw materials:

(2,4-difluorophenyl)acetonitrile

Downstream raw materials:

N-tert-butoxycarbonylglycyl-N-(2,4-difluorophenylethyl)-2-methylalanine (N-cyclohex-1-enyl)amide

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