(Z)-3-(4-ethoxyphenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Base Information

• Chemical Name: (Z)-3-(4-ethoxyphenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
• CAS No.: 5317-17-9
• Molecular Formula: C18H14N2OS2
• Molecular Weight: 338.4466
• DSSTox Substance ID: DTXSID40416328
• Wikidata: Q82225573

Synonyms:5317-17-9;(Z)-3-(4-ethoxyphenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile;AC1NSD4E;DTXSID40416328;AB00080418-01

Chemical Property of (Z)-3-(4-ethoxyphenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Chemical Property:

• Vapor Pressure: 1.01E-11mmHg at 25°C
• Boiling Point: 539.8°Cat760mmHg
• Flash Point: 280.3°C
• Density: 1.282g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 338.05475542
• Heavy Atom Count: 23
• Complexity: 465

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC=CS3
• Isomeric SMILES: CCOC1=CC=C(C=C1)/C=C(/C#N)\C2=NC(=CS2)C3=CC=CS3

Technology Process of (Z)-3-(4-ethoxyphenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

There total 4 articles about (Z)-3-(4-ethoxyphenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile 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:

2,2-dimethyl-thiazolidine-4(R)-carboxylic acid (58166-38-4) → (4R)-5t-(N,N'-bis-methoxycarbonyl-hydrazino)-2,2-dimethyl-thiazolidine-3,4r-dicarboxylic acid 3-tert-butyl ester 4-methyl ester (5317-17-9)

Guidance literature:

Multi-step reaction with 3 steps

1: Py / CH₂Cl₂

With pyridine; In dichloromethane;

DOI:10.1021/ja00956a051

Reference yield:

(4R)-3-(tert-butoxycarbonyl)-2,2-dimethylthiazolidine-4-carboxylic acid (5317-15-7) → (4R)-5t-(N,N'-bis-methoxycarbonyl-hydrazino)-2,2-dimethyl-thiazolidine-3,4r-dicarboxylic acid 3-tert-butyl ester 4-methyl ester (5317-17-9)

Guidance literature:

DOI:10.1021/ja00956a051

Reference yield:

dimethyl azodicarboxylate (137726-61-5) + 3-tert-butyl 4-methyl (4R)-2,2-dimethylthiazolidine-3,4-dicarboxylate (5317-16-8) → (4R)-5t-(N,N'-bis-methoxycarbonyl-hydrazino)-2,2-dimethyl-thiazolidine-3,4r-dicarboxylic acid 3-tert-butyl ester 4-methyl ester (5317-17-9)

Guidance literature:

DOI:10.1021/ja00956a051

upstream raw materials:

dimethyl azodicarboxylate

3-tert-butyl 4-methyl (4R)-2,2-dimethylthiazolidine-3,4-dicarboxylate

(4R)-3-(tert-butoxycarbonyl)-2,2-dimethylthiazolidine-4-carboxylic acid

2,2-dimethyl-thiazolidine-4(R)-carboxylic acid

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