1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine monohydrochloride

Base Information

• Chemical Name: 1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine monohydrochloride
• CAS No.: 141543-65-9
• Molecular Formula: C₁₄H₁₇N₃O₂S*ClH
• Molecular Weight: 327.835
• DSSTox Substance ID: DTXSID90931117
• Mol file: 141543-65-9.mol

Synonyms:141543-65-9;1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine monohydrochloride;1-(5-ISOQUINOLINESULFONYL)-3-METHYLPIPERAZINE HYDROCHLORIDE;5-(3-methylpiperazin-1-yl)sulfonylisoquinoline;hydrochloride;5-((3-Methylpiperazin-1-yl)sulfonyl)isoquinoline hydrochloride;Piperazine, 1-(5-isoquinolinylsulfonyl)-3-methyl-, monohydrochloride;1-(5-Isoquinolinesulfonyl)-3-methylpiperazine, hydrochloride;SCHEMBL20553518;DTXSID90931117;FGSVAQSKHCFWOY-UHFFFAOYSA-N;AKOS025993720;LS-112735;CS-0283361;FT-0670550;J-007512;1-(5-Isoquinolinesulfonyl) shy -3-methylpiperazine, hydrochloride;5-(3-Methylpiperazine-1-sulfonyl)isoquinoline--hydrogen chloride (1/1)

Chemical Property of 1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine monohydrochloride

Chemical Property:

• Vapor Pressure: 6E-10mmHg at 25°C
• Melting Point: 187-190°C
• Boiling Point: 495.3°Cat760mmHg
• Flash Point: 253.3°C
• PSA: 70.68000
• Density: g/cm³
• LogP: 3.36670
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 327.0808257
• Heavy Atom Count: 21
• Complexity: 434

Purity/Quality:

97% ^*data from raw suppliers

1-(5-Isoquinolinesulfonyl)-3-methylpiperazineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl
• Uses: A selective inhibitor of protein kinase C or cyclic-nucleotide-dependent protein kinases.

Technology Process of 1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine monohydrochloride

There total 1 articles about 1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine monohydrochloride 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:

(RS)-2-methylpiperazine (109-07-9) + 5-isoquinolinesulfonyl chloride (84468-15-5) → d,l-1-(5-isoquinolinesulfonyl)-3-methylpiperazine (141543-65-9,140663-38-3)

Guidance literature:

With water; sodium hydrogencarbonate; Yield given. Multistep reaction; 2.) CH₂Cl₂, RT, 1 h;

DOI:10.1248/cpb.40.770

upstream raw materials:

(RS)-2-methylpiperazine

5-isoquinolinesulfonyl chloride

Refernces