5-(2-aMinothiazol-5-ylthio)-2-Methoxy-4-Methylbenzoic acid

Base Information

• Chemical Name: 5-(2-aMinothiazol-5-ylthio)-2-Methoxy-4-Methylbenzoic acid
• CAS No.: 439578-97-9
• Molecular Formula: C12H12N2O3S2
• Molecular Weight: 296.37
• Hs Code.: 2934100090
• Mol file: 439578-97-9.mol

Synonyms:(3.3.3)Propellane-2,8,9-trione;2-Amino-5-[(5-carboxy-4-methoxy-2-methylphenyl)thio]thiazole;<3.3.3>Propellane-2,8,9-trion;[3[(2Aminothiazol-5yl)thio]4-methyl-6-methoxy]benzoic Acid;

Chemical Property of 5-(2-aMinothiazol-5-ylthio)-2-Methoxy-4-Methylbenzoic acid

Chemical Property:

• Boiling Point: 546.5±50.0 °C(Predicted)
• PKA: 3.81±0.10(Predicted)
• PSA: 139.71000
• Density: 1.48±0.1 g/cm3(Predicted)
• LogP: 2.82180

Purity/Quality:

99%, ^*data from raw suppliers

5-(2-Aminothiazol-5-yl)sulfanyl-2-methoxy-4-methylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(2-aMinothiazol-5-ylthio)-2-Methoxy-4-Methylbenzoic acid

There total 2 articles about 5-(2-aMinothiazol-5-ylthio)-2-Methoxy-4-Methylbenzoic acid 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: 87.0%

5-mercapto-2-methoxy-4-methylbenzoic acid (439579-12-1) + 5-bromo-2-aminothiazole (3034-22-8) → 5-(2-aminothiazol-5-yl)sulfanyl-2-methoxy-4-methylbenzoic acid (439578-97-9)

Guidance literature:

With sodium methylate; In methanol; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2006.04.060

Reference yield: 87.0%

5-mercapto-2-methoxy-4-methylbenzoic acid (439579-12-1) + 5-bromothiazol-2-amine hydrobromide (61296-22-8) → 5-(2-aminothiazol-5-yl)sulfanyl-2-methoxy-4-methylbenzoic acid (439578-97-9)

Guidance literature:

With hydrogenchloride; sodium methylate; In 1,4-dioxane; methanol;

Reference yield: 78.0%

5-(2-aminothiazol-5-yl)sulfanyl-2-methoxy-4-methylbenzoic acid (439578-97-9) + N-acetylpiperidine (13889-98-0) → 1-{4-[5-(2-amino-thiazol-5-ylsulfanyl)-2-methoxy-4-methyl-benzoyl]-piperazin-1-yl}-ethanone (439578-98-0)

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2006.04.060

upstream raw materials:

5-mercapto-2-methoxy-4-methylbenzoic acid

5-bromo-2-aminothiazole

5-bromothiazol-2-amine hydrobromide

Downstream raw materials:

1-{4-[5-(2-amino-thiazol-5-ylsulfanyl)-2-methoxy-4-methyl-benzoyl]-piperazin-1-yl}-ethanone

N-[5-[[[3-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-6-methyl]phenyl]thio]thiazol-2-yl]-4-(chloromethyl)benzamide

BMS-509744

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