Ethyl (2Z)-3-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]but-2-enoate

Base Information

• Chemical Name: Ethyl (2Z)-3-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]but-2-enoate
• CAS No.: 59484-00-3
• Molecular Formula: C16H14O4S
• Molecular Weight: 302.345
• DSSTox Substance ID: DTXSID60483072
• NSC Number: 278636
• Wikidata: Q82320050

Synonyms:59484-00-3;DTXSID60483072;NSC278636;Ethyl (2Z)-3-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]but-2-enoate;NSC-278636

Chemical Property of Ethyl (2Z)-3-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]but-2-enoate

Chemical Property:

• Vapor Pressure: 5.31E-08mmHg at 25°C
• Boiling Point: 441.7°C at 760 mmHg
• Flash Point: 217.6°C
• Density: 1.3g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 302.06128010
• Heavy Atom Count: 21
• Complexity: 518

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C(C)SC1=CC(=O)C2=CC=CC=C2C1=O
• Isomeric SMILES: CCOC(=O)/C=C(/C)\SC1=CC(=O)C2=CC=CC=C2C1=O

Technology Process of Ethyl (2Z)-3-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]but-2-enoate

There total 1 articles about Ethyl (2Z)-3-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]but-2-enoate 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:

Ethyl-(Z)-β-(1,4-dihydroxynaphthyl-2-thio)-crotonat (59483-95-3) → Ethyl-(Z)-β-(1,4-naphthochinonyl-2-thio)-crotonat (59484-00-3)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1246/bcsj.49.559

Reference yield:

Ethyl-(Z)-β-(1,4-naphthochinonyl-2-thio)-crotonat (59484-00-3) → Ethyl-(Z)-β-(1,4-dihydroxynaphthyl-2-thio)-crotonat (59483-95-3)

Guidance literature:

With acetic acid; zinc;

DOI:10.1246/bcsj.49.559

upstream raw materials:

Ethyl-(Z)-β-(1,4-dihydroxynaphthyl-2-thio)-crotonat

Downstream raw materials:

Ethyl-(Z)-β-(1,4-dihydroxynaphthyl-2-thio)-crotonat

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