N-Nitrosothiazolidine-4-carboxylic acid

Base Information

• Chemical Name: N-Nitrosothiazolidine-4-carboxylic acid
• CAS No.: 88381-44-6
• Molecular Formula: C4H6 N2 O3 S
• Molecular Weight: 162.169
• Hs Code.: 2934999090
• UNII: 993DMQ1GJA
• DSSTox Substance ID: DTXSID001016082
• Nikkaji Number: J260.055B
• Metabolomics Workbench ID: 48892
• Mol file: 88381-44-6.mol

Synonyms:N-nitrosothiazolidine-4-carboxylic acid;NTCA

Chemical Property of N-Nitrosothiazolidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.21E-10mmHg at 25°C
• Melting Point: 102-104°C
• Boiling Point: 482.7°C at 760 mmHg
• Flash Point: 245.7°C
• PSA: 95.27000
• Density: 1.79g/cm³
• LogP: 0.06520
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 162.00991323
• Heavy Atom Count: 10
• Complexity: 163

Purity/Quality:

racN-NitrosoThiazolidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(CS1)N=O)C(=O)O

Technology Process of N-Nitrosothiazolidine-4-carboxylic acid

There total 3 articles about N-Nitrosothiazolidine-4-carboxylic acid 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: 86.0%

(RS)-4-thiazolidinecarboxylic acid (444-27-9,19291-02-2,34592-47-7,45521-09-3,2756-91-4,6070-92-4,60731-25-1) → N-nitrosothiazolidine-4-carboxylic acid (88381-44-6)

Guidance literature:

With hydrogenchloride; sodium nitrate; In water; for 12h;

DOI:10.1016/S0040-4020(00)00956-X

Reference yield: 63.0%

L-thioproline (34592-47-7,2756-91-4,6070-92-4,60731-25-1) → N-nitrosothiazolidine-4-carboxylic acid (88381-44-6)

Guidance literature:

With hydrogenchloride; sodium nitrite;

DOI:10.1016/j.molstruc.2008.12.061

Reference yield:

N-methyl-N-nitrosotoluene-p-sulfonamide (80-11-5) + (RS)-4-thiazolidinecarboxylic acid (444-27-9,19291-02-2,34592-47-7,45521-09-3,2756-91-4,6070-92-4,60731-25-1) → N-nitrosothiazolidine-4-carboxylic acid (88381-44-6) + N-methyl-p-toluenesulfonylamide (640-61-9)

Guidance literature:

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

upstream raw materials:

N-methyl-N-nitrosotoluene-p-sulfonamide

(RS)-4-thiazolidinecarboxylic acid

L-thioproline

Downstream raw materials:

(R or S)-3-nitroso-thiazolidine-4-carboxylic acid 2-methoxy-4-nitro-phenyl ester

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