4-(4-Nitrophenyl)-1,3-thiazol-2-amine

Base Information

• Chemical Name: 4-(4-Nitrophenyl)-1,3-thiazol-2-amine
• CAS No.: 2104-09-8
• Molecular Formula: C9H7 N3 O2 S
• Molecular Weight: 221.239
• Hs Code.: 2934100090
• European Community (EC) Number: 625-258-7
• UNII: V5F5REB7MT
• DSSTox Substance ID: DTXSID9039238
• Nikkaji Number: J48.699J
• ChEMBL ID: CHEMBL1625396
• Mol file: 2104-09-8.mol

Synonyms:2-amino-4-(4-nitrophenyl)thiazole;2-amino-4-(para-nitrophenyl)thiazole;2-ANPT

Chemical Property of 4-(4-Nitrophenyl)-1,3-thiazol-2-amine

Chemical Property:

• Vapor Pressure: 3.11E-08mmHg at 25°C
• Melting Point: 283-287 °C
• Refractive Index: 1.6740 (estimate)
• Boiling Point: 448.4°C at 760 mmHg
• PKA: 3.26±0.10(Predicted)
• Flash Point: 225°C
• PSA: 112.97000
• Density: 1.459g/cm³
• LogP: 3.40490
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 221.02589765
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-4-(4-nitrophenyl)-1,3-thiazole 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)N)[N+](=O)[O-]
• Uses: 4-(4-Nitrophenyl)-1,3-thiazol-2-amine is a useful reagent in the preparation of 2-?aminothiazole derivatives with biological properties.

Technology Process of 4-(4-Nitrophenyl)-1,3-thiazol-2-amine

There total 15 articles about 4-(4-Nitrophenyl)-1,3-thiazol-2-amine 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: 100.0%

4-Nitrophenacyl bromide (99-81-0) + thiourea (17356-08-0) → 4-(4-nitro-phenyl)-thiazol-2-ylamine (2104-09-8)

Guidance literature:

With sodium hydrogen sulfate; In water; at 20 ℃; for 0.166667h; regioselective reaction;

DOI:10.1007/s00706-008-0906-4

Reference yield: 99.0%

thiourea (17356-08-0) + (4-nitrophenyl)ethanone (100-19-6) → 4-(4-nitro-phenyl)-thiazol-2-ylamine (2104-09-8)

Guidance literature:

With iodine; at 130 - 150 ℃; for 0.166667h; Neat (no solvent); Microwave irradiation;

DOI:10.1016/j.tetlet.2012.05.093

Reference yield: 96.0%

→ 4-(4-nitro-phenyl)-thiazol-2-ylamine (2104-09-8)

Guidance literature:

upstream raw materials:

ethanol

4-Nitrophenacyl bromide

thiourea

(4-nitrophenyl)ethanone

Downstream raw materials:

4-acetylamino-naphthalene-1-sulfonic acid 4-(4-nitro-phenyl)-thiazol-2-ylamide

6-acetylamino-naphthalene-2-sulfonic acid 4-(4-nitro-phenyl)-thiazol-2-ylamide

2-azido-4-(4-nitro-phenyl)-thiazole

7-{[4-(4-Nitro-phenyl)-thiazol-2-ylamino]-phenyl-methyl}-quinolin-8-ol

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