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

Base Information

• Chemical Name: Methyl 4-iodo-2-[3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureidosulfonyl]benzoate sodium salt
• CAS No.: 144550-36-7
• Molecular Formula: C14H13IN5NaO6S
• Molecular Weight: 529.247
• Mol file: 144550-36-7.mol

Synonyms:Benzoicacid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-,methyl ester, monosodium salt (9CI);AE-F 115008-00;Iodosulfuron methyl estersodium salt;Iodosulfuron-methyl sodium salt;Iodosulfuron-methyl-sodium [ISO];

Chemical Property of Methyl 4-iodo-2-[3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureidosulfonyl]benzoate sodium salt

Chemical Property:

• Melting Point: 152°
• PKA: Dissociation constant (pKa at 20 °C) 3.22 (Under strong acidic conditions – pH 2 – formation of iodosulfuron‐methyl)
• PSA: 149.06000
• LogP: 2.42070
• Storage Temp.: 0-6°C
• Solubility.: Solubility in organic solvents (g/l at 20 °C) Acetonitrile 52 Ethyl acetate 23 n‐Heptane 0.001 Methanol 12 2‐Propanol 4.4 Toluene 2.1
• Water Solubility.: Solubility in water (g/l at 20 °C) 0.16 (pH 5) 25.0 (pH 7) 65.0 (pH 9).

Purity/Quality:

98%, ^*data from raw suppliers

IodosulfuronMethylEsterSodium ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Iodosulfuron Methyl Ester Sodium is used as a pesticide.

Technology Process of Methyl 4-iodo-2-[3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureidosulfonyl]benzoate sodium salt

There total 6 articles about Methyl 4-iodo-2-[3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureidosulfonyl]benzoate sodium salt 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:

methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate (144550-06-1) → methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino] carbonyl]amino]sulfonyl]benzoate sodium salt (144550-36-7)

Guidance literature:

With sodium hydroxide; In acetone; at 0 ℃; for 0.5h;

Reference yield:

2-methoxycarbonyl-5-iodobenzenesulfochloride → methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino] carbonyl]amino]sulfonyl]benzoate sodium salt (144550-36-7)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonia / tetrahydrofuran / 20 °C

2: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 3 h / 20 °C

3: sodium hydroxide / acetone / 0.5 h / 0 °C

With ammonia; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; In tetrahydrofuran; acetone; acetonitrile;

Reference yield:

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 sodium salt (144550-36-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 3 h / 20 °C

2: sodium hydroxide / acetone / 0.5 h / 0 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; In acetone; acetonitrile;

upstream raw materials:

2-methoxycarbonyl-5-iodobenzenesulfonamide

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

2-acetylamino-4-iodobenzoic acid

methyl 2-amino-4-iodobenzoate

Refernces