N-Nitrososarcosine ethyl ester

Base Information

• Chemical Name: N-Nitrososarcosine ethyl ester
• CAS No.: 13344-50-8
• Molecular Formula: C5H10 N2 O3
• Molecular Weight: 146.146
• Hs Code.: 2922499990
• NSC Number: 153980
• UNII: 4J1K1WOW0P
• DSSTox Substance ID: DTXSID40158110
• Nikkaji Number: J54.311J
• Wikidata: Q83026265
• ChEMBL ID: CHEMBL351947
• Mol file: 13344-50-8.mol

Synonyms:N-nitrososarcosine ethyl ester

Chemical Property of N-Nitrososarcosine ethyl ester

Chemical Property:

• Vapor Pressure: 0.0184mmHg at 25°C
• Refractive Index: 1.4954 (estimate)
• Boiling Point: 253.3°Cat760mmHg
• Flash Point: 107°C
• PSA: 58.97000
• Density: 1.14g/cm³
• LogP: 0.16270
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 146.06914219
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN(C)N=O

Technology Process of N-Nitrososarcosine ethyl ester

There total 3 articles about N-Nitrososarcosine ethyl ester 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%

sarcosine ethyl ester hydrochloride (52605-49-9) → Ethyl (methylnitrosoamino)-acetate (13344-50-8)

Guidance literature:

With sodium nitrite; In water; acetic acid; for 3h; Ambient temperature;

DOI:10.1055/s-1984-30821

Reference yield:

Sarcosine ethyl ester (13200-60-7) + N-methyl-N-nitrosotoluene-p-sulfonamide (80-11-5) → Ethyl (methylnitrosoamino)-acetate (13344-50-8) + N-methyl-p-toluenesulfonylamide (640-61-9)

Guidance literature:

In 1,4-dioxane; water; at 25 ℃; Rate constant;

Reference yield:

Sarcosine ethyl ester (13200-60-7) → Ethyl (methylnitrosoamino)-acetate (13344-50-8)

Guidance literature:

With cis-nitrous acid; In water; at 25 ℃; Rate constant; Mechanism; var. pH;

upstream raw materials:

Sarcosine ethyl ester

sarcosine ethyl ester hydrochloride

N-methyl-N-nitrosotoluene-p-sulfonamide

Refernces

• 1、 Casado, Julio,Castro, Albino,Leis, J. Ramon,Mosquera, Manuel,Pena, M. Elena. "The mechanism of the nitrosation of α-amino acids: Evidence for an intramolecular Pathway". . p. 1859 - 1864. Retrieved 2007/10/02.