methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate

Base Information

• Chemical Name: methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate
• CAS No.: 523992-06-5
• Molecular Formula: C13H11N3O3S
• Molecular Weight: 289.30974
• Hs Code.: 2934200090
• Mol file: 523992-06-5.mol

Synonyms:methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate

Chemical Property of methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate

Chemical Property:

• Boiling Point: 515.5±58.0 °C(Predicted)
• PKA: 6.47±0.50(Predicted)
• PSA: 105.48000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 1.90310

Purity/Quality:

98%min ^*data from raw suppliers

Methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate

There total 1 articles about methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate 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: 97.0%

3-oxopentanedioic acid dimethyl ester (1830-54-2) + 1,3-benzothiazol-2-ylhydrazine (615-21-4) → methyl 2-(1-(benzo[d]thiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl)acetate (523992-06-5)

Guidance literature:

In toluene; at 110 ℃;

Reference yield:

methyl 2-(1-(benzo[d]thiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl)acetate (523992-06-5) → 2-(benzo[d]thiazol-2-yl)-1-benzyl-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione (847572-50-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid / acetonitrile / 2 h / 20 - 70 °C

2.1: acetonitrile / 2 h / 20 °C

3.1: potassium carbonate / acetonitrile / 80 °C

3.2: 3 h / 80 °C

With potassium carbonate; acetic acid; In acetonitrile;

upstream raw materials:

3-oxopentanedioic acid dimethyl ester

1,3-benzothiazol-2-ylhydrazine

Downstream raw materials:

2-(benzo[d]thiazol-2-yl)-1-benzyl-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione

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