methyl (2E)-2-(2-oxo-4H-1,4-benzothiazin-3-ylidene)acetate

Base Information

• Chemical Name: methyl (2E)-2-(2-oxo-4H-1,4-benzothiazin-3-ylidene)acetate
• CAS No.: 1774-77-2
• Molecular Formula: C₁₁H₉NO₃S
• Molecular Weight: 235.263
• NSC Number: 528685
• DSSTox Substance ID: DTXSID10415308
• Wikidata: Q82224241
• Mol file: 1774-77-2.mol

Synonyms:1774-77-2;methyl (2E)-2-(2-oxo-4H-1,4-benzothiazin-3-ylidene)acetate;AG-690/36006056;NSC528685;DTXSID10415308;VGBWLEISWLDUGT-SOFGYWHQSA-N;HMS1549A20;STK040760;AKOS000616174;NSC-528685;AB00079904-01;methyl (2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)acetate;methyl (2E)-(2-oxo-2H-1,4-benzothiazin-3(4H)-ylidene)ethanoate

Chemical Property of methyl (2E)-2-(2-oxo-4H-1,4-benzothiazin-3-ylidene)acetate

Chemical Property:

• Vapor Pressure: 3.78E-05mmHg at 25°C
• Boiling Point: 352.7°Cat760mmHg
• Flash Point: 167.1°C
• Density: 1.421g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 235.03031432
• Heavy Atom Count: 16
• Complexity: 340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=C1C(=O)SC2=CC=CC=C2N1
• Isomeric SMILES: COC(=O)/C=C/1\C(=O)SC2=CC=CC=C2N1

Technology Process of methyl (2E)-2-(2-oxo-4H-1,4-benzothiazin-3-ylidene)acetate

There total 1 articles about methyl (2E)-2-(2-oxo-4H-1,4-benzothiazin-3-ylidene)acetate 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: 93.0%

2-amino-benzenethiol (137-07-5) + dimethyl acetylenedicarboxylate (762-42-5) → methyl-2-(2-oxo-2H-benzo[b][1,4]thiazin-3(4H)-ylidene)acetate (1774-77-2)

Guidance literature:

With 12-tungstophosphoric acid supported on silica gel; In isopropyl alcohol; at 50 ℃;

DOI:10.1080/17415993.2016.1187733

upstream raw materials:

2-amino-benzenethiol

dimethyl acetylenedicarboxylate