1-(3,5-Dichloropyridin-4-yl)piperazine

Base Information

• Chemical Name: 1-(3,5-Dichloropyridin-4-yl)piperazine
• CAS No.: 175277-80-2
• Molecular Formula: C₉H₁₁Cl₂N₃
• Molecular Weight: 232.112
• Hs Code.: 2933990090
• European Community (EC) Number: 672-865-8
• DSSTox Substance ID: DTXSID70384127
• Wikidata: Q82176075
• ChEMBL ID: CHEMBL2441620
• Mol file: 175277-80-2.mol

Synonyms:1-(3,5-dichloropyridin-4-yl)piperazine;175277-80-2;1-(3,5-DICHLORO-4-PYRIDYL)PIPERAZINE;Piperazine, 1-(3,5-dichloro-4-pyridinyl)-;Oprea1_874326;SCHEMBL614362;CHEMBL2441620;DTXSID70384127;GPCFTLKHUONISF-UHFFFAOYSA-N;CCG-52525;MFCD00221400;AKOS015912239;AC-9344;PS-4671;1-(3,5-dichloropyrid-4-yl)piperazine;1-(3,5-dichloro-pyridin-4-yl)-piperazine;CS-0186235;FT-0605592;EN300-1967412;A812024;1-(3,5-dichloro-4-pyridyl)piperazine, AldrichCPR;J-011096;SR-01000641756-1;BRD-K35097312-001-01-1

Chemical Property of 1-(3,5-Dichloropyridin-4-yl)piperazine

Chemical Property:

• Vapor Pressure: 5.51E-05mmHg at 25°C
• Melting Point: 77 °C
• Refractive Index: 1.573
• Boiling Point: 347.1 °C at 760 mmHg
• PKA: 8.12±0.10(Predicted)
• Flash Point: 163.7 °C
• PSA: 28.16000
• Density: 1.327 g/cm³
• LogP: 2.19180
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 231.0330028
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

1-(3,5-Dichloropyridin-4-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=NC=C2Cl)Cl

Technology Process of 1-(3,5-Dichloropyridin-4-yl)piperazine

There total 1 articles about 1-(3,5-Dichloropyridin-4-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:

piperazine (110-85-0) + 3,4,5-trichloropyridine (33216-52-3) → 1-(3,5-dichloropyridin-4-yl)piperazine (175277-80-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 16h;

DOI:10.1021/ml400312j

Reference yield:

1-(3,5-dichloropyridin-4-yl)piperazine (175277-80-2) + 3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) → 2-(4-(3,5-dichloropyridin-4-yl)piperazin-1-yl)-2-(3-methoxyphenyl)ethanol

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 16 h / 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 16 h / 20 °C

With lithium aluminium tetrahydride; In tetrahydrofuran; dichloromethane;

Reference yield:

1-(3,5-dichloropyridin-4-yl)piperazine (175277-80-2) + C14H11ClN4O2 → C27H28Cl2N8O (1358460-28-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 18 h / 20 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / 1-methyl-pyrrolidin-2-one / 2 h / 160 °C / Microwave irradiation

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide;

upstream raw materials:

piperazine

3,4,5-trichloropyridine

Downstream raw materials:

C₂₇H₂₈Cl₂N₈O

Refernces