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

Base Information

• Chemical Name: methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
• CAS No.: 54255-33-3
• Molecular Formula: C11H9 N O3 S
• Molecular Weight: 235.263
• NSC Number: 266486
• DSSTox Substance ID: DTXSID70420377
• Nikkaji Number: J2.827.544G,J3.599.745H
• Wikidata: Q82231636
• Mol file: 54255-33-3.mol

Synonyms:NSC266486;54255-33-3;methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate;(3,4-Dihydro-3-oxo-2H-1,4-benzothiazine-2-ylidene)acetic acid methyl ester;DTXSID70420377;MGAINRJZMKQGDQ-TWGQIWQCSA-N;AKOS002123756;NSC-266486;J3.599.745H;methyl (2Z)-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)acetate;Methyl (Z)-2-(3,4-dihydro-3-oxo-2H-1,4-benzothiazin-2-ylidene)acetate;2-((Z)-3-Oxo-2,3-dihydro-4H-1,4-benzothiazine-2-ylidene)acetic acid methyl ester

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

Chemical Property:

• Vapor Pressure: 1.11E-07mmHg at 25°C
• Boiling Point: 432.4°C at 760 mmHg
• Flash Point: 215.3°C
• Density: 1.421g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.03031432
• Heavy Atom Count: 16
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=C1C(=O)NC2=CC=CC=C2S1
• Isomeric SMILES: COC(=O)/C=C\1/C(=O)NC2=CC=CC=C2S1

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

There total 2 articles about methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-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: 98.0%

2-amino-benzenethiol (137-07-5) + dimethyl acetylenedicarboxylate (762-42-5) → methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-ylidene)acetate (54255-33-3)

Guidance literature:

With copper(II) oxide; In water; at 20 ℃; for 0.5h;

DOI:10.1080/00397910903007103

Reference yield:

→ methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-ylidene)acetate (54255-33-3)

Guidance literature:

1-(2-Nitro-phenylmercapto)-ethylen-1,2-dicarbonsaeure-dimethylester, H2/Raney-Ni;

DOI:10.1016/S0040-4020(01)82593-X

Reference yield: 99.0%

methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-ylidene)acetate (54255-33-3) + indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + phenylglycin (2835-06-5) → C26H21N3O4S

Guidance literature:

In ethanol; at 20 ℃; for 3h; stereoselective reaction; Reflux;

DOI:10.1080/00397911.2014.965329

upstream raw materials:

2-amino-benzenethiol

dimethyl acetylenedicarboxylate