Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate
• CAS No.: 834885-05-1
• Molecular Formula: C12H11BrN2O2S
• Molecular Weight: 327.2
• Hs Code.: 2934100090
• European Community (EC) Number: 693-709-5
• DSSTox Substance ID: DTXSID90584667
• Wikidata: Q82476354
• Mol file: 834885-05-1.mol

Synonyms:Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate;834885-05-1;ETHYL 2-AMINO-4-(4-BROMOPHENYL)-1,3-THIAZOLE-5-CARBOXYLATE;SCHEMBL1417293;DTXSID90584667;MFCD06850299;AKOS017343350;SB82687;CS-0298855;EN300-244208;Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate, 90%;2-Amino-4-(4-bromophenyl)-thiazol-5-ylcarboxylic acid ethylester;Ethyl 4-(4-bromophenyl)-2-imino-2,3-dihydrothiazole-5-carboxylate

Chemical Property of Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate

Chemical Property:

• Melting Point: 204-208 °C
• PSA: 93.45000
• LogP: 3.91270
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 325.97246
• Heavy Atom Count: 18
• Complexity: 298

Purity/Quality:

98% ^*data from raw suppliers

Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C(S1)N)C2=CC=C(C=C2)Br

Technology Process of Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate

There total 3 articles about Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate 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:

C11H10BrIO3 + thiourea (17356-08-0) → ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate (834885-05-1)

Guidance literature:

With iodine; copper(II) oxide; In ethanol; at 78 ℃;

DOI:10.1016/j.tet.2011.10.074

Reference yield:

ethyl 2-bromo-3-(4-bromophenyl)-3-oxopropanoate (87943-97-3) + thiourea (17356-08-0) → ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate (834885-05-1)

Guidance literature:

In ethanol; at 75 ℃; for 2h;

Reference yield:

ethyl 4-Bromobenzoylacetate (26510-95-2) → ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate (834885-05-1)

Guidance literature:

Multi-step reaction with 2 steps

1: iodine; copper(II) oxide / ethanol / 78 °C

2: iodine; copper(II) oxide / ethanol / 78 °C

With iodine; copper(II) oxide; In ethanol;

DOI:10.1016/j.tet.2011.10.074

upstream raw materials:

thiourea

ethyl 4-Bromobenzoylacetate

ethyl 2-bromo-3-(4-bromophenyl)-3-oxopropanoate

Downstream raw materials:

C₁₀H₆BrNO₂S

C₂₈H₂₃N₂O₄S^(1-)*Na⁽¹⁺⁾

C₂₈H₂₄N₂O₄S

C₂₉H₂₆N₂O₄S

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