ethyl {4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}acetate

Base Information

• Chemical Name: ethyl {4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}acetate
• CAS No.: 6343-19-7
• Molecular Formula: C19H22N2O7
• Molecular Weight: 390.3872
• DSSTox Substance ID: DTXSID10361896
• Mol file: 6343-19-7.mol

Synonyms:6343-19-7;STK170431;ethyl {4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}acetate;DTXSID10361896;AKOS000325743;AB00105473-01

Chemical Property of ethyl {4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}acetate

Chemical Property:

• Vapor Pressure: 7.43E-11mmHg at 25°C
• Boiling Point: 518.5°C at 760 mmHg
• Flash Point: 267.4°C
• Density: 1.286g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 390.14270105
• Heavy Atom Count: 28
• Complexity: 635

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N(C2=O)C)C)OCC(=O)OCC

Technology Process of ethyl {4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}acetate

There total 6 articles about ethyl {4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}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: 38.0%

cyclohexa-1,3-diene (1165952-91-9) + 1,2-Dicyanoethylene (764-42-1) → bicyclo[2.2.2]oct-5-ene-2,3-dicarbonitrile (6343-19-7)

Guidance literature:

With boron trifluoride diethyl etherate;

DOI:10.1021/jm070844u

Reference yield: 35.0%

butenedinitrile (764-42-1) + cyclohexa-1,3-diene (1165952-91-9) → bicyclo[2.2.2]oct-5-ene-2,3-dicarbonitrile (6343-19-7)

Guidance literature:

With boron trifluoride diethyl etherate; In ethanol; at 20 - 70 ℃; for 47h; Inert atmosphere; Microwave irradiation;

DOI:10.1016/j.ejmech.2014.06.042

Reference yield:

→ trans-2,3-Dicyan-bicyclo<2.2.2>octen-(5) (14493-06-2,24425-59-0,62249-52-9,6343-19-7)

Guidance literature:

Fumarsaeure-dinitril, Cyclohexadien-(1,3), Xylol, Siedetemp., 13 h;

DOI:10.1021/jo01065a056

upstream raw materials:

maleonitrile

cyclohexa-1,3-diene

1,2-Dicyanoethylene

butenedinitrile

Downstream raw materials:

trans-2,3-Dicyan-bicyclo<2.2.2>octan

endo-cis-2,3-Dicyano-bicyclo<2.2.2>octan