Methyl 2-amino-5-bromothiazole-4-carboxylate

Base Information

• Chemical Name: Methyl 2-amino-5-bromothiazole-4-carboxylate
• CAS No.: 850429-60-6
• Molecular Formula: C₅H₅BrN₂O₂S
• Molecular Weight: 237.077
• Hs Code.: 2934100090
• European Community (EC) Number: 690-838-9
• DSSTox Substance ID: DTXSID00376813
• Wikidata: Q72486759
• Mol file: 850429-60-6.mol

Synonyms:Methyl 2-amino-5-bromothiazole-4-carboxylate;850429-60-6;methyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate;2-Amino-5-bromothiazole-4-carboxylic acid methyl ester;4-THIAZOLECARBOXYLIC ACID, 2-AMINO-5-BROMO-, METHYL ESTER;MFCD00137990;2-Amino-5-bromo-4-thiazolecarboxylic acid methyl ester, AldrichCPR;Methyl2-amino-5-bromothiazole-4-carboxylate;SCHEMBL1549089;2-amino-5-bromo-4-thiazolecarboxylic acid methyl ester;AMY1765;DTXSID00376813;KVUHCAXYWHQFLW-UHFFFAOYSA-N;AKOS015854623;AB03802;AC-5470;CS-W008317;PS-5463;SY005525;FT-0644917;EN300-6511429;A841076;J-521931;METHYL-2-AMINO-5-BROMOTHIAZOLE-4-CARBOXYLATE;methyl 2-azanyl-5-bromanyl-1,3-thiazole-4-carboxylate

Chemical Property of Methyl 2-amino-5-bromothiazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 4.76E-05mmHg at 25°C
• Melting Point: 157-159 ºC
• Boiling Point: 349.3 °C at 760 mmHg
• PKA: 0.74±0.10(Predicted)
• Flash Point: 165 °C
• PSA: 93.45000
• Density: 1.844 g/cm³
• LogP: 1.85560
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 235.92551
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

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

Methyl2-amino-5-bromothiazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(SC(=N1)N)Br

Technology Process of Methyl 2-amino-5-bromothiazole-4-carboxylate

There total 1 articles about Methyl 2-amino-5-bromothiazole-4-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:

methyl 2-amino-1,3-thiazole-4-carboxylate (118452-04-3) → methyl 2-amino-5-bromo-thiazole-4-carboxylate (850429-60-6)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 20 ℃; for 12h; Inert atmosphere;

Reference yield: 53.0%

methyl 2-amino-5-bromo-thiazole-4-carboxylate (850429-60-6) → 5-bromothiazole-4-carboxylic acid methyl ester (913836-22-3)

Guidance literature:

With tert.-butylnitrite; In N,N-dimethyl-formamide; at 80 ℃;

Reference yield:

methyl 2-amino-5-bromo-thiazole-4-carboxylate (850429-60-6) + tetramethylstannane (594-27-4) → methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate (63257-03-4)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 120 ℃;

upstream raw materials:

methyl 2-amino-1,3-thiazole-4-carboxylate

Downstream raw materials:

5-bromothiazole-4-carboxylic acid methyl ester

methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate

5-isopropyl-thiazole-4-carboxylic acid methyl ester

Refernces