(2Z)-3-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Base Information

Chemical Name:(2Z)-3-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CAS No.:5319-47-1
Molecular Formula:C20H15FN2OS
Molecular Weight:180.138
Hs Code.:
DSSTox Substance ID:DTXSID10416335
Wikidata:Q82225582
Mol file:5319-47-1.mol

Synonyms:5319-47-1;AC1NSDBT;DTXSID10416335;STL336005;AKOS022108945;AB00080537-01;(2Z)-3-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Suppliers and Price of (2Z)-3-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

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

Chemical Property:

Vapor Pressure:1.23E-11mmHg at 25°C
Boiling Point:537.8°Cat760mmHg
Flash Point:279°C
Density:1.257g/cm³
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:350.08891244
Heavy Atom Count:25
Complexity:501

Purity/Quality:: 99% ^*data from raw suppliers

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

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

There total 4 articles about (2Z)-3-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-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: 71.0%

: 5319-42-6
N-(2-fluorophenyl)glycine

: 5319-47-1
3-(2-fluorophenyl)sydnone

Guidance literature:: With hydrogenchloride; sodium hydroxide; sodium nitrite; In water; at 5 - 7 ℃;
DOI:10.3390/molecules26123693

Reference yield: 43.0%

: 4-acetyl-3-(2-fluorophenyl)sydnone

: 5319-47-1
3-(2-fluorophenyl)sydnone

: 4-(2-fluorophenylamino)-5-methyl-2,4-dihydropyrazol-3-one

Guidance literature:: With hydrazine hydrate; In ethanol; at 30 ℃;
DOI:10.3987/com-98-8355

Reference yield:

: 348-54-9
2-Fluoroaniline

: 5319-47-1
3-(2-fluorophenyl)sydnone

Guidance literature:: Multi-step reaction with 2 steps

1: water / 3 h / Reflux

2: sodium hydroxide; sodium nitrite; hydrogenchloride / water / 5 - 7 °C

With hydrogenchloride; sodium hydroxide; sodium nitrite; In water;
DOI:10.3390/molecules26123693