1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide

Base Information

• Chemical Name: 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide
• CAS No.: 31846-49-8
• Molecular Formula: C₁₁H₉NO₃S
• Molecular Weight: 235.263
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID80185708
• Nikkaji Number: J41.967B
• Wikidata: Q83056785
• Mol file: 31846-49-8.mol

Synonyms:31846-49-8;BRN 0657522;1H-2,3-BENZOTHIAZIN-4(3H)-ONE, 3-(2-PROPYNYL)-, 2,2-DIOXIDE;3-Propargyl-1H-2,3-benzothiazin-4(3H)-one 2,2-dioxide;C11H9NO3S;DTXSID80185708;LS-40620;3,4-Dihydro-4-oxo-3-(2-propynyl)-1H-2,3-benzothiazine 2,2-dioxide

Chemical Property of 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide

Chemical Property:

• Vapor Pressure: 4.82E-07mmHg at 25°C
• Boiling Point: 413.4°Cat760mmHg
• Flash Point: 203.8°C
• PSA: 62.83000
• Density: 1.398g/cm³
• LogP: 1.62410
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.03031432
• Heavy Atom Count: 16
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCN1C(=O)C2=CC=CC=C2CS1(=O)=O

Technology Process of 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide

There total 2 articles about 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 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:

2-propynyl chloride (624-65-7) + 2,2-dioxo-2,3-dihydro-1H-2λ6-benzo[d][1,2]thiazin-4-one (21784-53-2) → 3-Propargyl-3,4-dihydro-4-oxo-1H-2,3-benzothiazin-S-dioxid (31846-49-8)

Guidance literature:

Multistep reaction; (i) KOH, MeOH, (ii) /BRN= 506005/, DMF;

DOI:10.1021/jm00268a014

Reference yield:

→ 3-Propargyl-3,4-dihydro-4-oxo-1H-2,3-benzothiazin-S-dioxid (31846-49-8)

Guidance literature:

basis-cpd., alcylation;

upstream raw materials:

2-propynyl chloride

2,2-dioxo-2,3-dihydro-1H-2λ⁶-benzo[d][1,2]thiazin-4-one

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