2-Amino-3-chloro-5-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 2-Amino-3-chloro-5-(trifluoromethyl)pyridine
• CAS No.: 79456-26-1
• Molecular Formula: C6H4ClF3N2
• Molecular Weight: 196.559
• Hs Code.: 29339900
• European Community (EC) Number: 401-670-0,616-692-8
• DSSTox Substance ID: DTXSID00345807
• Nikkaji Number: J43.111G
• Wikidata: Q72460367
• Mol file: 79456-26-1.mol

Synonyms:79456-26-1;2-Amino-3-chloro-5-(trifluoromethyl)pyridine;3-Chloro-5-(trifluoromethyl)pyridin-2-amine;2-Amino-3-chloro-5-trifluoromethylpyridine;2-Pyridinamine, 3-chloro-5-(trifluoromethyl)-;MFCD00042154;3-Chloro-5-trifluoromethyl-2-pyridylamine;2-amino-3-chloro-5-trifluoromethyl pyridine;EC 401-670-0;2-AMINO-3-CHLORO-5-(TRIFLOROMETHYL)PYRIDINE;2-Amino-3-chloro-5-trifluoropyridine;SCHEMBL119730;WXNPZQIRDCDLJD-UHFFFAOYSA-;DTXSID00345807;PC1070G;CHEBI:194671;HMS1648N07;BBL004470;STL140692;AKOS000119155;AB01893;AC-3253;CS-W010581;PS-6382;SY004773;3-chloro-4,5,6-trifluoropyridin-2-amine;3-Chloro-5-trifluoromethyl-2-pyridinamine;3-chloro-5-(triluoromethyl)pyridin-2-amine;2-amino-3-chloro- 5-trifluoromethylpyridine;A1157;A9910;AM20070272;EU-0066628;FT-0611050;FT-0656032;3-chloro-5-(trifluoromethyl)-2-aminopyridine;3-Pyridinamine,2-fluoro-5-(trifluoromethyl)-;EN300-19150;3-Chloro-5-(trifluoromethyl)-2-pyridinylamine #;SR-01000597237;2-Amino-3-chloro-5-(trifluoromethyl)pyridine, 97%;Q-101470;SR-01000597237-1;W-203603;Z104472970;n(3,4dimethoxyphenyl)1(5phenylpyrimidin2yl)piperidine3carboxamide;N-(3,4-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide;71456-26-3

Chemical Property of 2-Amino-3-chloro-5-(trifluoromethyl)pyridine

Chemical Property:

• Appearance/Colour: Light yellow cryst.
• Vapor Pressure: 0.306mmHg at 25°C
• Melting Point: 86-90 °C(lit.)
• Refractive Index: 1.502
• Boiling Point: 201.6 °C at 760 mmHg
• PKA: 1.79±0.49(Predicted)
• Flash Point: 75.7 °C
• PSA: 38.91000
• Density: 1.507 g/cm³
• LogP: 2.91720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 622mg/L at 25℃
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 196.0015103
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2-?Amino-?3-?chloro-?5-?trifluoromethylpyrid?ine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-52/53-36/37/38-20/21/22
• Safety Statements: 61-36/37/39-26-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1Cl)N)C(F)(F)F
• Uses: 2-?Amino-?3-?chloro-?5-?trifluoromethylpyrid?ine acts as a reactant in the synthesis of novel imidazo[1,2-a]pyridine-coumarin hybrid molecules as inhibitors of NS5B in potential treatment of Hepititis C.

Technology Process of 2-Amino-3-chloro-5-(trifluoromethyl)pyridine

There total 17 articles about 2-Amino-3-chloro-5-(trifluoromethyl)pyridine 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: 99.5%

2-fluoro-3-chloro-5-(trifluoromethyl)pyridine (72537-17-8) → 2-amino-3-chloro-5-(trifluoromethyl)pyridine (79456-26-1)

Guidance literature:

With ammonia; In tetrahydrofuran; at 35 ℃; for 28h; under 1950.2 Torr; Product distribution / selectivity; Autoclave; Inert atmosphere;

Reference yield: 96.0%

2-chloro-5-trifluoromethylpyridine (52334-81-3) → 2-amino-3-chloro-5-(trifluoromethyl)pyridine (79456-26-1)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; ammonium chloride; copper(l) chloride; In isopropyl alcohol; at 30 ℃; for 6h; Solvent; Reagent/catalyst; Temperature;

Reference yield: 94.0%

→ 2-amino-3-chloro-5-(trifluoromethyl)pyridine (79456-26-1)

Guidance literature:

With acetamidine hydrochloride; sodium hydroxide; In water; dimethyl sulfoxide; at 130 ℃; for 24h;

upstream raw materials:

2-amino-5-trifluoromethylpyridine

2,3-dichloro-5-trifluoromethylpyridine

2-chloro-5-trifluoromethylpyridine

2-chloro-5-(Trichloromethyl)-pyridine

Downstream raw materials:

8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine

ethyl 3-amino-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

3-methyl-5-(trifluoromethyl)pyridin-2-amine

[8-Chloro-2-(4-chloro-phenyl)-6-trifluoromethyl-imidazo[1,2-a]pyridin-3-yl]-acetic acid ethyl ester

Refernces

• 1、 -. "Method for synthesizing 2-amino-3-chloro-5-trifluoromethylpyridine". . . Retrieved 2021/02/06.
• 2、 -. "CYANOTRIAZOLE COMPOUNDS AND USES THEREOF". Paragraph 00186. . Retrieved 2020/01/11.