Trimethylnitrosourea

Base Information

• Chemical Name: Trimethylnitrosourea
• CAS No.: 3475-63-6
• Molecular Formula: C4H9 N3 O2
• Molecular Weight: 131.134
• Hs Code.: 2924199090
• UNII: 8W29DUY28U
• DSSTox Substance ID: DTXSID70188304
• Nikkaji Number: J2.180F
• Wikidata: Q27893067
• Mol file: 3475-63-6.mol

Synonyms:N,N-dimethyl-N'-methyl-N'-nitrosourea;N-nitroso-N,N',N''-trimethylurea;NTMU;trimethylnitrosourea

Chemical Property of Trimethylnitrosourea

Chemical Property:

• Vapor Pressure: 4.18mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 148.7°Cat760mmHg
• Flash Point: 43.7°C
• PSA: 52.98000
• Density: 1.14g/cm³
• LogP: 0.28120
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 131.069476538
• Heavy Atom Count: 9
• Complexity: 123

Purity/Quality:

99%, ^*data from raw suppliers

TRIMETHYL NITROSO UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)N(C)N=O

Technology Process of Trimethylnitrosourea

There total 1 articles about Trimethylnitrosourea 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: 66.0%

1,1,3-trimethylurea (632-14-4) → N',N'-Dimethyl-N-methyl-N-nitrosourea (3475-63-6)

Guidance literature:

With sulfuric acid; sodium nitrite; In methanol; water; cooling;

DOI:10.1021/jo01293a023

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: 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:

1,1,3-trimethylurea

Downstream raw materials:

N-nitrosopiperazine

methanol

1,1,3-trimethylurea

dimethyl amine

Refernces

• 1、 Tinwell,Paton,Guttenplan,Ashby. "Unexpected genetic toxicity to rodents of the N′,N′-dimethyl analogues of MNU and ENU". . p. 202 - 210. Retrieved 2007/10/03.