4-Thiazolecarboxylic acid, 2-(5-nitro-2-thienyl)-

Base Information

• Chemical Name: 4-Thiazolecarboxylic acid, 2-(5-nitro-2-thienyl)-
• CAS No.: 56527-65-2
• Molecular Formula: C8H4N2O4S2
• Molecular Weight: 256.2584
• DSSTox Substance ID: DTXSID70971970
• Wikidata: Q82955660

Synonyms:4-thiazolecarboxylic acid, 2-(5-nitro-2-thienyl)-;56527-65-2;BRN 0998227;2-(5-Nitro-2-thienyl)-4-thiazolecarboxylic acid;Thiazole-4-carboxylic acid, 2-(5-nitro-2-thienyl)-;2-(5-nitrothiophen-2-yl)-1,3-thiazole-4-carboxylic acid;DTXSID70971970;AKOS030242489;2-(5-Nitrothiophen-2-yl)thiazole-4-carboxylicacid

Chemical Property of 4-Thiazolecarboxylic acid, 2-(5-nitro-2-thienyl)-

Chemical Property:

• Vapor Pressure: 6.81E-12mmHg at 25°C
• Melting Point: 255-256 °C
• Boiling Point: 526°Cat760mmHg
• PKA: 3.28±0.10(Predicted)
• Flash Point: 271.9°C
• PSA: 152.49000
• Density: 1.694g/cm³
• LogP: 3.00120
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 255.96124896
• Heavy Atom Count: 16
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1)[N+](=O)[O-])C2=NC(=CS2)C(=O)O

Technology Process of 4-Thiazolecarboxylic acid, 2-(5-nitro-2-thienyl)-

There total 6 articles about 4-Thiazolecarboxylic acid, 2-(5-nitro-2-thienyl)- 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:

5-nitro-thiophene-2-carbothioic acid amide (30096-68-5) → 2-(5-nitro-thiophen-2-yl)-thiazole-4-carboxylic acid (56527-65-2)

Guidance literature:

Multi-step reaction with 4 steps

1: dioxane

2: CHCl₃

3: aq. AcOH

4: aq. H₂SO₄, Na₂Cr₂O₇ / acetic acid

With sodium dichromate; sulfuric acid; acetic acid; In 1,4-dioxane; chloroform; acetic acid;

DOI:10.1021/jm00242a007

Reference yield:

4-chloromethyl-2-(5-nitro-thiophen-2-yl)-thiazole (42344-00-3) → 2-(5-nitro-thiophen-2-yl)-thiazole-4-carboxylic acid (56527-65-2)

Guidance literature:

Multi-step reaction with 3 steps

1: CHCl₃

2: aq. AcOH

3: aq. H₂SO₄, Na₂Cr₂O₇ / acetic acid

With sodium dichromate; sulfuric acid; acetic acid; In chloroform; acetic acid;

DOI:10.1021/jm00242a007

Reference yield:

2-(5-Nitro-2-thienyl)-4-formyl-thiazol (31898-37-0) → 2-(5-nitro-thiophen-2-yl)-thiazole-4-carboxylic acid (56527-65-2)

Guidance literature:

With sodium dichromate; sulfuric acid; In acetic acid;

DOI:10.1021/jm00242a007

upstream raw materials:

2-(5-Nitro-2-thienyl)-4-formyl-thiazol

N,N-dimethyl-N'-[2-(5-nitro-thiophen-2-yl)-thiazol-4-ylmethylene]-benzene-1,4-diamine N'-oxide

5-nitro-thiophene-2-carbothioic acid amide

1-[2-(5-nitro-thiophen-2-yl)-thiazol-4-ylmethyl]-pyridinium; chloride

Downstream raw materials:

4-[2-(5-nitro-thiophen-2-yl)-thiazole-4-carbonyl]-morpholine

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