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

Base Information

• Chemical Name: 3-Benzyl-2,1,3-benzothiadiazin-4(1H)-one 2,2-dioxide
• CAS No.: 3866-81-7
• Molecular Formula: C₁₄H₁₂N₂O₃S
• Molecular Weight: 288.327
• DSSTox Substance ID: DTXSID901165735
• Nikkaji Number: J1.098.599D
• ChEMBL ID: CHEMBL15343

Synonyms:Maybridge3_001930;Oprea1_875526;CHEMBL15343;DTXSID901165735;HMS1436H16;CCG-240655;IDI1_013317;BRD-K96461989-001-01-7;3-Benzyl-2,1,3-benzothiadiazin-4(1H)-one 2,2-dioxide;3-Benzyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide;3-benzyl-2,2-dioxo-1H-2$l^{6},1,3-benzothiadiazin-4-one;1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide;3866-81-7

Chemical Property of 3-Benzyl-2,1,3-benzothiadiazin-4(1H)-one 2,2-dioxide

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 288.05686342
• Heavy Atom Count: 20
• Complexity: 465

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NS2(=O)=O

Technology Process of 3-Benzyl-2,1,3-benzothiadiazin-4(1H)-one 2,2-dioxide

There total 8 articles about 3-Benzyl-2,1,3-benzothiadiazin-4(1H)-one 2,2-dioxide 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: 67.0%

benzylaminosulfonyl chloride (56379-96-5) + 2-carbomethoxyaniline (134-20-3) → 3-benzyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide (3866-81-7)

Guidance literature:

benzylaminosulfonyl chloride; 2-carbomethoxyaniline; In toluene; for 3h;

With sodium hydroxide; In toluene; Further stages.;

DOI:10.1021/jm000033p

Reference yield: 34.0%

benzyl bromide (100-39-0) + 1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide (2225-37-8) → 3-benzyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide (3866-81-7)

Guidance literature:

With sodium hydrogencarbonate; for 1h; Heating;

DOI:10.1021/jm980327z

Reference yield:

C15H16N2O4S → 3-benzyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide (3866-81-7)

Guidance literature:

With sodium methylate; In methanol; at 40 ℃; for 2h;

DOI:10.1002/jhet.5570410516

upstream raw materials:

benzyl bromide

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

benzylaminosulfonyl chloride

2-carbomethoxyaniline

Downstream raw materials:

Acetic acid 2-(3-benzyl-2,2,4-trioxo-3,4-dihydro-2H-2λ⁶-benzo[1,2,6]thiadiazin-1-ylmethoxy)-ethyl ester

3-Benzyl-2,2-dioxo-1-prop-2-ynyloxymethyl-2,3-dihydro-1H-2λ⁶-benzo[1,2,6]thiadiazin-4-one

3-Benzyl-1-benzyloxymethyl-2,2-dioxo-2,3-dihydro-1H-2λ⁶-benzo[1,2,6]thiadiazin-4-one

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