N-Hydroxyurethane

Base Information

Chemical Name:N-Hydroxyurethane
CAS No.:589-41-3
Molecular Formula:C3H7 N O3
Molecular Weight:105.093
Hs Code.:2924199090
European Community (EC) Number:209-648-0
NSC Number:83629,71045
UNII:QWI3C4ASI7
DSSTox Substance ID:DTXSID20207635
Nikkaji Number:J1.640C
Wikidata:Q72482141
ChEMBL ID:CHEMBL153081
Mol file:589-41-3.mol

Synonyms:ethyl N-hydroxycarbamate;hydroxycarbamic acid ethyl ester;N-hydroxyurethane

Suppliers and Price of N-Hydroxyurethane

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

TRC
Hydroxyurethane
25g
$ 395.00

TCI Chemical
N-Hydroxyurethane >85.0%(GC)(N)
5g
$ 99.00

TCI Chemical
N-Hydroxyurethane >85.0%(GC)(N)
1g
$ 28.00

Sigma-Aldrich
N-Hydroxyurethane
25g
$ 515.00

Sigma-Aldrich
N-Hydroxyurethane
5g
$ 131.00

Matrix Scientific
Ethyl hydroxycarbamate 97%
50g
$ 1182.00

Matrix Scientific
Ethyl hydroxycarbamate 97%
1g
$ 47.00

Matrix Scientific
Ethyl hydroxycarbamate 97%
10g
$ 336.00

Atlantic Research Chemicals
EthylHydroxycarbamate 95%
10gm:
$ 212.07

American Custom Chemicals Corporation
N-HYDROXYURETHANE 95.00%
1G
$ 1963.50

Total 32 raw suppliers

Chemical Property of N-Hydroxyurethane

Chemical Property:

Vapor Pressure:0.00268mmHg at 25°C
Refractive Index:n20/D 1.445(lit.)
Boiling Point:113-116 ºC (3 mmHg)
PKA:9.30±0.23(Predicted)
Flash Point:>110 ºC
PSA：58.56000
Density:1.196g/cm³
LogP:0.51260
Storage Temp.:−20°C
Solubility.:Diethyl Ether, Dimethyl Sulfoxide, Water
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:105.042593085
Heavy Atom Count:7
Complexity:63.2

Purity/Quality:

≥98% ^*data from raw suppliers

Hydroxyurethane ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCOC(=O)NO
Uses Hydroxyurethane is a metabolite of carcinogenic Urethane (U825300). Reactant involved in:Synthesis of molecules used for intermolecular Sharpless aminohydroxylation reactionsIntermolecular ortho-C-H amidation of anilidesCinchona alkaloid-catalyzed asymmetric cycloadditionAllylic arylation Metabolite of carcinogenic Urethane (U825300).

Technology Process of N-Hydroxyurethane

There total 6 articles about N-Hydroxyurethane 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: 96.0%

: 541-41-3
chloroformic acid ethyl ester

: 589-41-3
ethyl N-hydroxylcarbamate

Guidance literature:: With hydroxylamine hydrochloride; potassium carbonate; In tetrahydrofuran; at 20 ℃; for 48h;

Reference yield:

: 64-17-5
ethanol

: 530-62-1
1,1'-carbonyldiimidazole

: 589-41-3
ethyl N-hydroxylcarbamate

Guidance literature:: ethanol; 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

With 1H-imidazole; hydroxylamine hydrochloride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.6b02724