Methyl 3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

Base Information

• Chemical Name: Methyl 3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
• CAS No.: 29209-30-1
• Molecular Formula: C11H11 N O5 S
• Molecular Weight: 269.278
• Hs Code.: 2934999090
• European Community (EC) Number: 249-509-1
• DSSTox Substance ID: DTXSID80951804
• Nikkaji Number: J250.797H
• Mol file: 29209-30-1.mol

Synonyms:29209-30-1;EINECS 249-509-1;Methyl 3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide;C11H11NO5S;2H-1,2-Benzothiazine-3-carboxylic acid, 3,4-dihydro-2-methyl-4-oxo-, methyl ester, 1,1-dioxide;methyl 2-methyl-4-oxo-3,4-dihydro-2h-1,2-benzothiazine-3-carboxylate 1,1-dioxide;SCHEMBL10865721;DTXSID80951804;methyl 2-methyl-1,1,4-trioxo-3H-1lambda6,2-benzothiazine-3-carboxylate;3,4-Dihydro-2-methyl-3-methoxycarbonyl-4-oxo-2H-1,2-benzothiazine 1,1-dioxide;Methyl 2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-3-carboxylate;Methyl 3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxylate-1,1-dioxide;methyl 3,4-dihydro-2-methyl-4-oxo-2H-benzothiazine-3-carboxylate 1,1-dioxide;2-methyl-3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide;methyl 2-methyl-1,1,4-trioxo-1,2,3,4-tetrahydro-1lambda6-benzo[e][1,2]thiazine-3-carboxylate

Chemical Property of Methyl 3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

Chemical Property:

• Vapor Pressure: 1.02E-07mmHg at 25°C
• Boiling Point: 433.6°Cat760mmHg
• PKA: 9.57±0.20(Predicted)
• Flash Point: 216°C
• PSA: 89.13000
• Density: 1.432g/cm³
• LogP: 1.06370
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 269.03579362
• Heavy Atom Count: 18
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(C(=O)C2=CC=CC=C2S1(=O)=O)C(=O)OC

Technology Process of Methyl 3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

There total 2 articles about Methyl 3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-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:

methyl 3-oxo-2,3-dihydrobenzo[d][1,2]thiazol-2-acetate 1,1-dioxide (6639-62-9) + dimethyl sulfoxide (67-68-5,8070-53-9) → 2-methyl-3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide (29209-30-1)

Guidance literature:

methyl 3-oxo-2,3-dihydrobenzo[d][1,2]thiazol-2-acetate 1,1-dioxide; With sodium methylate; potassium iodide; In methanol; at 30 - 65 ℃; for 2h;

dimethyl sulfoxide; With hydrogenchloride; In water; at 10 - 15 ℃; for 5h; pH=8.5 - 9.5; Temperature;

Reference yield:

→ 2-methyl-3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide (29209-30-1)

Guidance literature:

Aus dem entspr. Benzothiazin und Methyljodid;

Reference yield: 56.7%

6-chloropyridin-2-amine (45644-21-1) + 2-methyl-3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide (29209-30-1) → N-(6-chloro-pyridin-2-yl)-3,4-dihydro-2-methyl-4-oxo-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene;

upstream raw materials:

methyl 3-oxo-2,3-dihydrobenzo[d][1,2]thiazol-2-acetate 1,1-dioxide

dimethyl sulfoxide

Refernces