3,4-dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid

Base Information

• Chemical Name: 3,4-dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid
• CAS No.: 140926-49-4
• Molecular Formula: C₁₉H₁₆F₃N₃O₃S
• Molecular Weight: 423.416
• Mol file: 140926-49-4.mol

Synonyms:3,4-dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid

Chemical Property of 3,4-dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid

Chemical Property:

• Vapor Pressure: 1.29E-14mmHg at 25°C
• Boiling Point: 586.8°Cat760mmHg
• Flash Point: 308.7°C
• PSA: 113.32000
• Density: 1.59g/cm³
• LogP: 3.42600

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,4-dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid

There total 3 articles about 3,4-dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic 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:

[4-Oxo-3-(5-trifluoromethyl-benzothiazol-2-ylmethyl)-3,4,5,6,7,8-hexahydro-phthalazin-1-yl]-acetic acid tert-butyl ester (140926-37-0) → 3,4-dihydro-4-oxo-5,6-cyclohexano-3-<<5-(trifluoromethyl)benzothiazol-2-yl>methyl>-1-pyridazineacetic acid (140926-49-4)

Guidance literature:

With sulfuric acid;

DOI:10.1021/jm00090a002

Reference yield:

5-trifluoromethyl-2-chloromethylbenzothiazole (110704-50-2) → 3,4-dihydro-4-oxo-5,6-cyclohexano-3-<<5-(trifluoromethyl)benzothiazol-2-yl>methyl>-1-pyridazineacetic acid (140926-49-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 2.) DMF

2: conc. H₂SO₄

With sulfuric acid; sodium hydride;

DOI:10.1021/jm00090a002

Reference yield:

4-t-butoxycarbonylmethyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one (134972-12-6) → 3,4-dihydro-4-oxo-5,6-cyclohexano-3-<<5-(trifluoromethyl)benzothiazol-2-yl>methyl>-1-pyridazineacetic acid (140926-49-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 2.) DMF

2: conc. H₂SO₄

With sulfuric acid; sodium hydride;

DOI:10.1021/jm00090a002

upstream raw materials:

[4-Oxo-3-(5-trifluoromethyl-benzothiazol-2-ylmethyl)-3,4,5,6,7,8-hexahydro-phthalazin-1-yl]-acetic acid tert-butyl ester

5-trifluoromethyl-2-chloromethylbenzothiazole

4-t-butoxycarbonylmethyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one

Refernces