methyl 4-iodo-2-(N-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoyl)sulfamoyl)benzoate

Base Information

• Chemical Name: methyl 4-iodo-2-(N-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoyl)sulfamoyl)benzoate
• CAS No.: 144550-06-1
• Molecular Formula: C₁₄H₁₄IN₅O₆S
• Molecular Weight: 507.266
• European Community (EC) Number: 429-890-2
• DSSTox Substance ID: DTXSID101020557
• Nikkaji Number: J1.945.807E
• Wikidata: Q63395500
• ChEMBL ID: CHEMBL3580410
• Mol file: 144550-06-1.mol

Synonyms:Iodosulfuron-methyl;185119-76-0;methyl 4-iodo-2-(N-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoyl)sulfamoyl)benzoate;144550-06-1;Methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate;EC 429-890-2;methyl 4-iodo-2-(3-(4-methoxy-6-methyl-1,3,5-triazine-2-yl)ureidosulfonyl)benzoate;Benzoic acid,4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester;Iodosulfuron Methyl Ester;SCHEMBL733383;CHEMBL3580410;VWGAYSCWLXQJBQ-UHFFFAOYSA-N;DTXSID101020557;SB73514;AE F 114 844;FT-0741275;Q63395500;methyl 4-iodo-2-(N-((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)benzoate;Methyl 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-amino]-carbonyl]-amino]-sulfonyl]-4-iodobenzoate;Methyl 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-4-iodobenzoate;methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate;Methyl 4-iodo-2-{N-[N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-aminocarbonyl]aminosulfonyl}benzoate

Chemical Property of methyl 4-iodo-2-(N-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoyl)sulfamoyl)benzoate

Chemical Property:

• Density: 1.806g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 506.97095
• Heavy Atom Count: 27
• Complexity: 644

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)I)C(=O)OC

Technology Process of methyl 4-iodo-2-(N-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoyl)sulfamoyl)benzoate

There total 7 articles about methyl 4-iodo-2-(N-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoyl)sulfamoyl)benzoate 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: 99.2%

2-Methoxycarbonyl-5-iodobenzenesulfonyl isocyanate (144550-82-3) + 4-methoxy-6-methyl-1,3,5-triazin-2-amine (1668-54-8) → methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate (144550-06-1)

Guidance literature:

In ethyl acetate; xylene; at 50 ℃; for 8h; Product distribution / selectivity;

Reference yield:

4-methoxy-6-methyl-1,3,5-triazin-2-yl-carbamic acid,phenyl ester + 2-methoxycarbonyl-5-iodobenzenesulfonamide (144550-79-8) → methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate (144550-06-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 3h;

Reference yield:

bis(phenyl) carbonate (102-09-0) + 2-methoxycarbonyl-5-iodobenzenesulfonamide (144550-79-8) + 4-methoxy-6-methyl-1,3,5-triazin-2-amine (1668-54-8) → methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate (144550-06-1)

Guidance literature:

With hydrogenchloride; potassium tert-butylate; In ice-water; ISOPROPYLAMIDE; 2,4-dichlorophenoxyacetic acid dimethylamine;

upstream raw materials:

2-Methoxycarbonyl-5-iodobenzenesulfonyl isocyanate

4-methoxy-6-methyl-1,3,5-triazin-2-amine

bis(phenyl) carbonate

2-methoxycarbonyl-5-iodobenzenesulfonamide

Downstream raw materials:

methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino] carbonyl]amino]sulfonyl]benzoate sodium salt

N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl) urea

4-methoxy-6-methyl-1,3,5-triazin-2-amine