4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

Base Information

• Chemical Name: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
• CAS No.: 5769-40-4
• Molecular Formula: C₁₁H₁₂N₂O₂S₂
• Molecular Weight: 268.36
• DSSTox Substance ID: DTXSID20389586
• ChEMBL ID: CHEMBL1508049

Synonyms:4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;5769-40-4;ChemDiv1_011634;MLS001219747;CHEMBL1508049;HMS620A18;DTXSID20389586;HMS2908E15;CCG-20536;STK723425;AKOS000714997;4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;SMR000608304;AB00837652-06;SR-01000525346;SR-01000525346-1;4-(1,3-dioxo-hexahydro-1h-isoindol-2(3h)-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;4-(1,3-Dioxo-octahydro-isoindol-2-yl)-N-(4-methyl-pyrimidin-2-yl)-benzenesulfonamide

Chemical Property of 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.5E-20mmHg at 25°C
• Boiling Point: 708.4°Cat760mmHg
• Flash Point: 382.2°C
• Density: 1.426g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 400.12052631
• Heavy Atom Count: 28
• Complexity: 690

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O

Technology Process of 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

There total 1 articles about 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide 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:

mercaptoacetic acid (68-11-1) + benzaldehyde benzylidenehydrazone (28867-76-7) → 4-mercaptoacetyl-2-phenyl-[1,3,4]thiadiazinan-5-one (5769-40-4)

Guidance literature:

Reference yield:

4-mercaptoacetyl-2-phenyl-[1,3,4]thiadiazinan-5-one (5769-40-4) → 2-mercapto-N-[2-(4-nitro-phenyl)-7-oxo-4-phenyl-[1,5,3]oxathiazepan-3-yl]-acetamide

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃ / H₂O

With sodium carbonate; In water;

Reference yield:

4-mercaptoacetyl-2-phenyl-[1,3,4]thiadiazinan-5-one (5769-40-4) → N-[hydroxy-(4-nitro-phenyl)-methyl]-2-mercapto-N-[2-(4-nitro-phenyl)-7-oxo-4-phenyl-[1,5,3]oxathiazepan-3-yl]-acetamide (5769-39-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃ / H₂O

With sodium carbonate; In water;

upstream raw materials:

mercaptoacetic acid

benzaldehyde benzylidenehydrazone

Downstream raw materials:

8-phenyl-[1,2,3]thiadiazolo[2,3-c][1,3,4]thiadiazine-3,5-dione

[(4-oxo-[1,2,3]thiadiazolidin-2-yl)-phenyl-methylsulfanyl]-acetic acid

N-[hydroxy-(4-nitro-phenyl)-methyl]-2-mercapto-N-[2-(4-nitro-phenyl)-7-oxo-4-phenyl-[1,5,3]oxathiazepan-3-yl]-acetamide

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