4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione

Base Information

• Chemical Name: 4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
• CAS No.: 13338-02-8
• Molecular Formula: C8H8N2O3S
• Molecular Weight: 212.229
• European Community (EC) Number: 960-440-2
• ChEMBL ID: CHEMBL4521083
• Pharos Ligand ID: ZZGG3Q56R4KB

Synonyms:13338-02-8;4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione;CHEMBL4521083;4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione;SCHEMBL6240349;RQCMUVKZNMGOOY-UHFFFAOYSA-N;BDBM50519803;EN300-226995;4-methyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one;Z2229328886;4-methyl-1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-one;4-methyl-2 h -1,2,4-benzothiadiazin-3(4 h )-one 1,1-dioxide;4-Methyl-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide;4-methyl-3,4-dihydro-2H-1|E?,2,4-benzothiadiazine-1,1,3-trione

Chemical Property of 4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 212.02556330
• Heavy Atom Count: 14
• Complexity: 346

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2S(=O)(=O)NC1=O

Technology Process of 4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione

There total 1 articles about 4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione 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:

2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide (13338-00-6) + dimethyl sulfate (77-78-1) → 3,4-Dihydro-4-methyl-2H-1,2,4-benzothiadiazin-3-on-1,1-dioxid (13338-02-8) + 2,4-Dimethyl-3-oxo-2,3-dihydro-4H-1.2.4-benzothiadiazin-1.1-dioxid (13338-03-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9500001760

Reference yield: 95.0%

3,4-Dihydro-4-methyl-2H-1,2,4-benzothiadiazin-3-on-1,1-dioxid (13338-02-8) → NSC 373853 (107089-76-9)

Guidance literature:

With phosphorus pentachloride; at 200 - 210 ℃; for 1.5h;

Reference yield: 50.0%

3,4-Dihydro-4-methyl-2H-1,2,4-benzothiadiazin-3-on-1,1-dioxid (13338-02-8) → 2-methylaminobenzene sulfonamide (21639-28-1)

Guidance literature:

With sulfuric acid; at 130 ℃;

DOI:10.1021/jm050855s

upstream raw materials:

2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide

dimethyl sulfate

Downstream raw materials:

NSC 373853

2-methylaminobenzene sulfonamide

N-methyl-N-(2-sulfamoylphenyl)malonamic acid ethyl ester

NSC 373858

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