1-Butyl-3,3-dimethyl-1-nitrosourea

Base Information

Chemical Name:1-Butyl-3,3-dimethyl-1-nitrosourea
CAS No.:56654-53-6
Molecular Formula:C7H15 N3 O2
Molecular Weight:173.215
Hs Code.:
DSSTox Substance ID:DTXSID90205224
Nikkaji Number:J58.082A
Wikidata:Q83078723

Synonyms:1-butyl-3,3-dimethyl-1-nitrosourea;N-butyl-N',N'-dimethyl-N-nitrosourea

Suppliers and Price of 1-Butyl-3,3-dimethyl-1-nitrosourea

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-BUTYL-3,3-DIMETHYL-1-NITROSOUREA 95.00%
5MG
$ 500.93

Total 5 raw suppliers

Chemical Property of 1-Butyl-3,3-dimethyl-1-nitrosourea

Chemical Property:

Vapor Pressure:0.156mmHg at 25°C
Refractive Index:1.6500 (estimate)
Boiling Point:214.4°C at 760 mmHg
Flash Point:83.5°C
PSA：52.98000
Density:1.05g/cm³
LogP:1.45150
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:173.116426730
Heavy Atom Count:12
Complexity:159

Purity/Quality:

99% ^*data from raw suppliers

1-BUTYL-3,3-DIMETHYL-1-NITROSOUREA 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN(C(=O)N(C)C)N=O

Technology Process of 1-Butyl-3,3-dimethyl-1-nitrosourea

There total 3 articles about 1-Butyl-3,3-dimethyl-1-nitrosourea 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: 17.0%

: 52696-91-0
N-(n-butyl)-N',N'-dimethylurea

: 56654-53-6
N-(n-butyl)-N',N'-dimethyl-N-nitrosourea

Guidance literature:: With sodium acetate; dinitrogen tetraoxide; In dichloromethane; at 0 ℃; for 0.583333h;
DOI:10.1021/jo00199a023

Reference yield:

: 111-36-4
n-butyl isocyanide

: 56654-53-6
N-(n-butyl)-N',N'-dimethyl-N-nitrosourea

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / CH₂Cl₂ / 2 h / Ambient temperature

2: 17 percent / N₂O₄, sodium acetate / CH₂Cl₂ / 0.58 h / 0 °C

With sodium acetate; dinitrogen tetraoxide; In dichloromethane;
DOI:10.1021/jo00199a023