2-Chloro-6-fluorophenethylamine

Base Information

• Chemical Name: 2-Chloro-6-fluorophenethylamine
• CAS No.: 149488-93-7
• Molecular Formula: C8H9ClFN
• Molecular Weight: 173.618
• Hs Code.: 29214900
• DSSTox Substance ID: DTXSID10370120
• Wikidata: Q82157428
• ChEMBL ID: CHEMBL452901
• Mol file: 149488-93-7.mol

Synonyms:149488-93-7;2-CHLORO-6-FLUOROPHENETHYLAMINE;2-(2-chloro-6-fluorophenyl)ethanamine;Benzeneethanamine, 2-chloro-6-fluoro-;2-(2-chloro-6-fluorophenyl)ethylamine;2-(2-Chloro-6-fluorophenyl)ethan-1-amine;CHEMBL452901;SCHEMBL1197584;DTXSID10370120;NNEMMAAHBKHXLP-UHFFFAOYSA-N;BDBM50262800;MFCD00052682;STL483353;AKOS000153304;AS-80401;2-(2-Chloro-6-fluoro-phenyl)-ethylamine;FT-0643438;EN300-87011;F87136;W15

Chemical Property of 2-Chloro-6-fluorophenethylamine

Chemical Property:

• Appearance/Colour: Clear colorless to pink-reddish liquid
• Vapor Pressure: 0.0728mmHg at 25°C
• Refractive Index: 1.5285-1.5305
• Boiling Point: 228.6 °C at 760 mmHg
• Flash Point: 92 °C
• PSA: 26.02000
• Density: 1.221 g/cm³
• LogP: 2.68060
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.0407551
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98%min ^*data from raw suppliers

2-CHLORO-6-FLUOROPHENETHYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-6-fluorophenethylamine

There total 1 articles about 2-Chloro-6-fluorophenethylamine 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:

6-chloro-2-fluorophenylacetonitrile (75279-55-9) → 2-(2-chloro-6-fluoro-phenyl)-ethylamine (149488-93-7)

Guidance literature:

With sodium tetrahydroborate; cobalt(II) chloride; In methanol; for 3h;

DOI:10.1021/jm00025a010

Reference yield: 59.0%

5-(furan-2-yl)-1,3,4-oxadiazol-2(3H)-one (103418-56-0) + 2-(2-chloro-6-fluoro-phenyl)-ethylamine (149488-93-7) → C14H13ClFN3O3

Guidance literature:

In ethanol; at 100 ℃; for 20h;

DOI:10.1016/j.bmcl.2018.04.028

Reference yield: 32.0%

p-chlorphenylisocyanate (104-12-1) + 2-(2-chloro-6-fluoro-phenyl)-ethylamine (149488-93-7) → 3-(4-chlorophenyl)-1-[2-(2-chloro-6-fluorophenyl)ethyl]urea

Guidance literature:

In chloroform; at 60 ℃; for 16h;

DOI:10.1021/acs.jmedchem.1c01432

upstream raw materials:

6-chloro-2-fluorophenylacetonitrile

Downstream raw materials:

N-(2-(2-fluoro-6-chlorophenyl)ethyl)-N'-(2-thiazolyl)thiourea

Refernces

• 1、 Bell,Cantrell,Hogberg,Jaskunas,Johansson,Jordan,Kinnick,Lind,Morin Jr.,Noreen,Oberg,Palkowitz,Parrish,Pranc,Sahlberg,Ternansky,Vasileff,Vrang,West,et al.. "Phenethylthiazolethiourea (PETT) compounds, a new class of HIV-1 reverse transcriptase inhibitors. 1. Synthesis and basic structure-activity relationship studies of PETT analogs". . p. 4929 - 4936. Retrieved 2007/10/03.