4-[benzyl(methyl)sulfamoyl]-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

Base Information

• Chemical Name: 4-[benzyl(methyl)sulfamoyl]-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
• CAS No.: 6244-46-8
• Molecular Formula: C10H18 O
• Molecular Weight: 520.4513
• DSSTox Substance ID: DTXSID00409892

Synonyms:6244-46-8;4-[benzyl(methyl)sulfamoyl]-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide;DTXSID00409892

Chemical Property of 4-[benzyl(methyl)sulfamoyl]-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

Chemical Property:

• Vapor Pressure: 4.26E-18mmHg at 25°C
• Boiling Point: 675.3°Cat760mmHg
• Flash Point: 362.2°C
• Density: 1.43g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 519.0244892
• Heavy Atom Count: 33
• Complexity: 836

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4)Cl)Cl

Technology Process of 4-[benzyl(methyl)sulfamoyl]-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

There total 4 articles about 4-[benzyl(methyl)sulfamoyl]-N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide 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: 85.0%

2-methylpropen-1-ylmagnesium bromide (38614-36-7) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(2-methyl-1-propenyl)cyclohexanol (6244-46-8)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 4h;

DOI:10.1002/chem.201704380

Reference yield: 41.0%

n-butyllithium (109-72-8,29786-93-4) + potassium cyclohexanolate (54637-77-3) → 1-butyl-cyclohexanol (5445-30-7) + 1-(2-methyl-1-propenyl)cyclohexanol (6244-46-8)

Guidance literature:

With 2-methylprop-1-enyl chloride; In tetrahydrofuran; at 0 ℃; for 0.166667h;

DOI:10.1021/ja00293a070

Reference yield: 17.0%

2-methylprop-1-enyl chloride (513-37-1) + potassium cyclohexanolate (54637-77-3) → 1-butyl-cyclohexanol (5445-30-7) + 1-(2-methyl-1-propenyl)cyclohexanol (6244-46-8)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 0.166667h;

DOI:10.1021/ja00293a070

upstream raw materials:

2-methylpropen-1-ylmagnesium bromide

cyclohexanone

n-butyllithium

potassium cyclohexanolate

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