1-Nitrosopiperazine

Base Information

• Chemical Name: 1-Nitrosopiperazine
• CAS No.: 5632-47-3
• Molecular Formula: C4H9 N3 O
• Molecular Weight: 115.135
• European Community (EC) Number: 803-995-7
• NSC Number: 525340
• UNII: RUF459I8KS
• DSSTox Substance ID: DTXSID9021059
• Nikkaji Number: J2.237C
• Wikidata: Q27888779
• ChEMBL ID: CHEMBL1333
• Mol file: 5632-47-3.mol

Synonyms:1-nitrosopiperazine;N-mononitrosopiperazine

Chemical Property of 1-Nitrosopiperazine

Chemical Property:

• Vapor Pressure: 0.00966mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 264.5°Cat760mmHg
• PKA: 8.07±0.10(Predicted)
• Flash Point: 113.8°C
• PSA: 44.70000
• Density: 1.34g/cm³
• LogP: -0.16030
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 115.074561919
• Heavy Atom Count: 8
• Complexity: 79.4

Purity/Quality:

99% ^*data from raw suppliers

N-Nitrosopiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: C1CN(CCN1)N=O
• Uses: A carcinogenic nitrosocompound

Technology Process of 1-Nitrosopiperazine

There total 8 articles about 1-Nitrosopiperazine 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: 93.0%

N',N'-Dimethyl-N-methyl-N-nitrosourea (3475-63-6) + Piperidinium formate (34745-45-4,82039-18-7) → N-nitrosopiperazine (5632-47-3)

Guidance literature:

sodium thiocyanide; at 50 ℃; Product distribution; Mechanism; pH 3.3;

DOI:10.1021/jo00330a016

Reference yield: 85.0%

piperazine (110-85-0) → N-nitrosopiperazine (5632-47-3) + N,N'-dinitrosopiperazine (140-79-4)

Guidance literature:

With Nafion-H(R); silica gel; sodium nitrite; In dichloromethane; at 20 ℃; for 0.666667h;

DOI:10.1016/S0040-4039(03)00578-1

Reference yield: 71.0%

N',N'-Dimethyl-N-methyl-N-nitrosourea (3475-63-6) + piperazin-1-ium perchlorate (102118-38-7) → N-nitrosopiperazine (5632-47-3)

Guidance literature:

With sodium nitrite; sodium thiocyanide; at 50 ℃; for 18h; Rate constant; Mechanism; pH 1.7;

DOI:10.1021/jo00330a016

upstream raw materials:

piperazine

n-propyl nitrite

n-Butyl nitrite

N-methyl-N-nitrosotoluene-p-sulfonamide

Downstream raw materials:

1-nitroso-4-[(4',4''-difluorodiphenyl)methyl]piperazine

piperazine

1-benzyl-4-nitroso-4-piperizine

1-Amino-4-(2-propenyl)-piperazin