Nithiamide

Base Information

• Chemical Name: Nithiamide
• CAS No.: 140-40-9
• Molecular Formula: C5H5 N3 O3 S
• Molecular Weight: 187.179
• Hs Code.: 29341000
• European Community (EC) Number: 205-414-7
• NSC Number: 759136,45914,31539
• UNII: 9CBM60191Z
• DSSTox Substance ID: DTXSID6046391
• Nikkaji Number: J5.654E
• Wikidata: Q27272354
• NCI Thesaurus Code: C81722
• ChEMBL ID: CHEMBL1872946
• Mol file: 140-40-9.mol

Synonyms:2-acetylamino-5-nitrothiazole;aminitrozole;aminitrozole monohydrofluoride;nitazole;nithiamide

Chemical Property of Nithiamide

Chemical Property:

• Vapor Pressure: 0.000911mmHg at 25°C
• Melting Point: 263°C (dec.)
• Refractive Index: 1.6560 (estimate)
• Boiling Point: 303.8°Cat760mmHg
• PKA: 8.78±0.50(Predicted)
• Flash Point: 137.5°C
• PSA: 116.05000
• Density: 1.598g/cm³
• LogP: 1.60590
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 187.00516220
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Acetamido-5-nitrothiazole >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 22-36/37-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=NC=C(S1)[N+](=O)[O-]
• Uses: antiinflammatory, glucocorticoid Nithiamide is a drug for chemotherapy. A protistocide drug with antibacterial activity.

Technology Process of Nithiamide

There total 7 articles about Nithiamide 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: 91.0%

2-amino-5-nitro-1,3-thiazole (121-66-4,176384-36-4,8023-00-5) + acetic anhydride (108-24-7) → Nitazole (140-40-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2014.01.029

Reference yield:

2-acetamidothiazole (2719-23-5) → Nitazole (140-40-9)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

2-acetamido-5-bromothiazole (7336-54-1) → Nitazole (140-40-9)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid;

DOI:10.1021/ja01180a038

upstream raw materials:

2-acetamidothiazole

ethyl nitrate

2-amino-5-nitro-1,3-thiazole

2-acetamido-5-bromothiazole

Downstream raw materials:

2-amino-5-nitro-1,3-thiazole

Refernces

• 1、 Kravchenya, N. A.. "SYNTHESIS OF NITAZOLE AND ITS ANALOGS". . p. 809 - 810. Retrieved 1983.
• 2、 Nava-Zuazo, Carlos,Chávez-Silva, Fabiola,Moo-Puc, Rosa,Chan-Bacab, Manuel Jesús,Ortega-Morales, Benjamín Otto,Moreno-Díaz, Hermenegilda,Díaz-Couti?o, Daniel,Hernández-Nú?ez, Emanuel,Navarrete-Vázquez, Gabriel. "2-Acylamino-5-nitro-1,3-thiazoles: Preparation and in vitro bioevaluation against four neglected protozoan parasites". . p. 1626 - 1633. Retrieved 2014/03/21.