1-(3-Iodopyridin-2-yl)piperazine

Base Information

• Chemical Name: 1-(3-Iodopyridin-2-yl)piperazine
• CAS No.: 85386-98-7
• Molecular Formula: C9H12IN3
• Molecular Weight: 289.12
• Hs Code.: 2933990090
• European Community (EC) Number: 677-057-9
• ChEMBL ID: CHEMBL295764
• DSSTox Substance ID: DTXSID20467651
• Wikidata: Q72484553
• Mol file: 85386-98-7.mol

Synonyms:1-(3-iodopyridin-2-yl)piperazine;85386-98-7;1-(3-Iodo-pyridin-2-yl)-piperazine;CHEMBL295764;1-(3-Iodo-2-pyridyl)piperazine;SCHEMBL612191;C9H12IN3;DTXSID20467651;1-(3-Iodopyridin-2-yl)-piperazine;BDBM50027023;MFCD04039872;AKOS015853966;AB17424;AC-6156;FT-0657082;1-(3-iodopyridin-1-ium-2-yl)piperazin-4-ium;A841314

Chemical Property of 1-(3-Iodopyridin-2-yl)piperazine

Chemical Property:

• Appearance/Colour: White powder
• Melting Point: 63.1-67.8 °C
• Boiling Point: 378.683 °C at 760 mmHg
• Flash Point: 182.821 °C
• PSA: 28.16000
• Density: 1.671 g/cm³
• LogP: 1.48960
• Storage Temp.: 2-8°C
• Sensitive.: Moisture & Light Sensitive
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 289.00759
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Iodo-pyridin-2-yl)-piperazine 97+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=C(C=CC=N2)I

Technology Process of 1-(3-Iodopyridin-2-yl)piperazine

There total 1 articles about 1-(3-Iodopyridin-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: 38.0%

piperazine (110-85-0) + 2-chloro-3-iodopyridine (78607-36-0) → 1-(3-iodopyridin-2-yl)piperazine (85386-98-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 240 ℃; for 1h; microwave irradiation;

DOI:10.1021/jm060065y

Reference yield:

1-(3-iodopyridin-2-yl)piperazine (85386-98-7) + phenylboronic acid (98-80-6) → 1-(3-phenyl-2-pyridinyl)piperazine (104813-87-8)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In water; toluene; Heating / reflux;

Reference yield:

[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid (53-86-1) + 1-(3-iodopyridin-2-yl)piperazine (85386-98-7) → C28H27IN4O4

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 25 ℃; for 16h;

DOI:10.1002/jlcr.1615

upstream raw materials:

piperazine

2-chloro-3-iodopyridine

Downstream raw materials:

1-(3-phenyl-2-pyridinyl)piperazine