2-Amino-5-nitrothiazole

Base Information

• Chemical Name: 2-Amino-5-nitrothiazole
• CAS No.: 121-66-4
• Deprecated CAS: 8017-93-4,8023-00-5,8023-00-5
• Molecular Formula: C3H3N3O2S
• Molecular Weight: 145.142
• Hs Code.: 29341000
• European Community (EC) Number: 204-490-9
• NSC Number: 4
• UN Number: 2811
• UNII: 1GR77A37Z5
• DSSTox Substance ID: DTXSID6020066
• Nikkaji Number: J5.531J
• Wikidata: Q27155915
• NCI Thesaurus Code: C76409
• ChEMBL ID: CHEMBL408049
• Mol file: 121-66-4.mol

Synonyms:2-amino-5-nitrothiazole

Chemical Property of 2-Amino-5-nitrothiazole

Chemical Property:

• Appearance/Colour: yellow crystal
• Melting Point: 195-200 °C (dec.)(lit.)
• Refractive Index: 1.651
• Boiling Point: 345.1 °C at 760 mmHg
• PKA: 1.26±0.10(Predicted)
• Flash Point: 162.5 °C
• PSA: 112.97000
• Density: 1.682 g/cm³
• LogP: 1.73790
• Storage Temp.: Refrigerator
• Sensitive.: Light Sensitive
• Solubility.: 95% ethanol: soluble1g/150g at 20°C
• Water Solubility.: <0.1 g/100 mL at 20℃
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 144.99459752
• Heavy Atom Count: 9
• Complexity: 125
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-5-nitrothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-40-20/21/22
• Safety Statements: 26-45-24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Thiazoles
• Canonical SMILES: C1=C(SC(=N1)N)[N+](=O)[O-]
• Uses: Niltazoxanide USP Related Compound A 2-Amino-5-nitrothiazole. 2-Amino-5-nitrothiazole was used as diazo component in the synthesis of monoazo disperse dyes. It was used as matrix during matrix-assisted laser desorption/ionization time-of-flight mass spectrometric study of oligonucleotide and protein.

Technology Process of 2-Amino-5-nitrothiazole

There total 8 articles about 2-Amino-5-nitrothiazole 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: 82.8%

C5H10N4O2S*BrH → 2-amino-5-nitro-1,3-thiazole (121-66-4,176384-36-4,8023-00-5)

Guidance literature:

With water;

Reference yield: 59.0%

2-thiazolylamine (96-50-4) → 2-amino-5-nitro-1,3-thiazole (121-66-4,176384-36-4,8023-00-5)

Guidance literature:

With sulfuric acid; nitric acid; at 15 ℃; Cooling with ice;

Reference yield:

N-(2-thiazolyl)-nitramine (59024-01-0) → 2-amino-5-nitro-1,3-thiazole (121-66-4,176384-36-4,8023-00-5)

Guidance literature:

With sulfuric acid;

DOI:10.1139/v56-164

upstream raw materials:

2-thiazolylamine

ethyl nitrate

2-acetamidothiazole

N-(2-thiazolyl)-nitramine

Downstream raw materials:

Atricam

2-dichloracetamido-5-nitrothiazole

N-(5-nitrothiazol-2-yl)formamide

Nitazole

Refernces

• 1、 Dickey et al.. "-". . p. 499,505. Retrieved 1955.
• 2、 -. "Nitrothiazole derivatives and hydrochloride thereof Application of sulfate in preparation of medicine for treating livestock intestinal infection". Paragraph 0013; 0041-0044. . Retrieved 2021/11/27.
• 3、 Jeankumar, Variam Ullas,Chandran, Manoj,Samala, Ganesh,Alvala, Mallika,Koushik, Pulla Venkat,Yogeeswari, Perumal,Salina, Elena G.,Sriram, Dharmarajan. "Development of 5-nitrothiazole derivatives: Identification of leads against both replicative and latent Mycobacterium tuberculosis". . p. 7414 - 7417. Retrieved 2013/02/22.