Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Base Information

• Chemical Name: Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• CAS No.: 6998-05-6
• Molecular Formula: C24H38 O5 Si2
• Molecular Weight: 699.7974
• DSSTox Substance ID: DTXSID20413552

Synonyms:6998-05-6;DTXSID20413552;Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Chemical Property of Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Chemical Property:

• Vapor Pressure: 1.66E-29mmHg at 25°C
• Boiling Point: 854.3°C at 760 mmHg
• Flash Point: 470.5°C
• Density: 1.37g/cm³
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 699.16101139
• Heavy Atom Count: 50
• Complexity: 1360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC7=CC=CC=C7

Technology Process of Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

There total 2 articles about Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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: 97.0%

4-allylguaiacol (97-53-0) + 1,1,3,3-Tetramethyldisiloxane (3277-26-7) → 1,3-bis-[3-(4-hydroxy-3-methoxyphenyl)propyl]tetramethyldisiloxane (6998-05-6)

Guidance literature:

With dihydrogen hexachloroplatinate; In isopropyl alcohol; at 60 ℃; for 4h;

DOI:10.1039/c4ta05740f

Reference yield:

→ 1,3-bis-[3-(4-hydroxy-3-methoxyphenyl)propyl]tetramethyldisiloxane (6998-05-6)

Guidance literature:

Entspr. Phenol, HSiCl3;

Reference yield: 95.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3-bis-[3-(4-hydroxy-3-methoxyphenyl)propyl]tetramethyldisiloxane (6998-05-6) → 1,3-bis[3-(4-hydroxy-3-hydroxymethyl-5-methoxyphenyl)propyl]tetramethyldisiloxane (1240497-64-6)

Guidance literature:

With sodium hydroxide; In water; at 40 ℃; for 4h;

DOI:10.1134/S1070363212020107

upstream raw materials:

4-allylguaiacol

1,1,3,3-Tetramethyldisiloxane

Downstream raw materials:

1,3-bis[3-(4-hydroxy-3-hydroxymethyl-5-methoxyphenyl)propyl]tetramethyldisiloxane

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