1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine

Base Information

• Chemical Name: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine
• CAS No.: 132834-59-4
• Molecular Formula: C10H11ClF3N3
• Molecular Weight: 265.66
• Hs Code.: 2933990090
• European Community (EC) Number: 672-002-5
• DSSTox Substance ID: DTXSID60349866
• Wikidata: Q82125392
• ChEMBL ID: CHEMBL4800114
• Mol file: 132834-59-4.mol

Synonyms:132834-59-4;1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine;1-(3-chloro-5-(trifluoromethyl)-2-pyridyl)piperazine;1-[3-chloro-5-(trifluoromethyl)pyrid-2-yl]piperazine;1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;PIPERAZINE, 1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-;1-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-piperazine;1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]-piperazine;1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYL]PIPERAZINE;3-chloro-5-(trifluoromethyl)-2-piperazinopyridine;1-(3-chloro-5-(trifluoromethyl)pyrid-2-yl)piperazine;Maybridge1_007660;Piperazine,1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-;SCHEMBL232841;CHEMBL4800114;HMS563E04;DTXSID60349866;MFCD00173934;AKOS000264204;AB04383;AM86509;FT-0607125;EN300-34196;8F-928;N10130;A806505;1-(3-chloro-5-trifluoromethyl-2-pyridyl)piperazine;J-503117;n-(3-chloro-5-trifluoromethyl-2-pyridyl)piperazine;1-(3-chloro-5-trifluoromethylpyridin-2-yl)piperazine;1-[3-chloro-5-(trifluoromethyl)pyrid-2-yl]piperazine, AldrichCPR

Chemical Property of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Melting Point: 66-68 °C
• Refractive Index: 1.5
• Boiling Point: 336.5 °C at 760 mmHg
• Flash Point: 157.3 °C
• PSA: 28.16000
• Density: 1.352 g/cm³
• LogP: 2.55720
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 265.0593595
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Technology Process of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine

There total 1 articles about 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine 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: 90.2%

piperazine (110-85-0) + 2,3-dichloro-5-trifluoromethylpyridine (69045-84-7) → 1-(3-chloro-5-trifluoromethyl-pyridin-2-yl)-piperazine (132834-59-4)

Guidance literature:

With triethylamine; In acetonitrile; at 40 ℃; for 4.58333h;

Reference yield: 92.0%

rac-5-methanesulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid (845616-83-3) + 1-(3-chloro-5-trifluoromethyl-pyridin-2-yl)-piperazine (132834-59-4) → rac-[4-(3-chloro-5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-[5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-methanone

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm100210p

Reference yield: 91.0%

3-ethyl-1-methylpyrazole-5-carboxylic acid chloride + 1-(3-chloro-5-trifluoromethyl-pyridin-2-yl)-piperazine (132834-59-4) → C17H19ClF3N5O

Guidance literature:

With triethylamine; In ethyl acetate; at 20 ℃; for 0.5h;

upstream raw materials:

piperazine

2,3-dichloro-5-trifluoromethylpyridine

Downstream raw materials:

C₂₁H₂₀ClF₆N₃O₄S

PCM-0102378

Refernces

• 1、 -. "Fluorine-containing pyridine piperazine imidazole carbamide, and applications thereof". Paragraph 0018-0021. . Retrieved 2018/11/03.
• 2、 -. "Fluoropyridine-containing piperazine amide compounds and application thereof". Paragraph 0024; 0025; 0026. . Retrieved 2018/11/27.