(4E)-3-methyl-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one

Base Information

Chemical Name:(4E)-3-methyl-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one
CAS No.:17975-54-1
Molecular Formula:C₁₃H₁₁NO₂
Molecular Weight:213.236
Hs Code.:
NSC Number:405517
DSSTox Substance ID:DTXSID20419695

Synonyms:NSC405517;17975-54-1;DTXSID20419695;NSC-405517;3-methyl-4-((e)-3-phenylallylidene)isoxazol-5(4h)-one

Suppliers and Price of (4E)-3-methyl-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one

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
Packaging
price

Total 5 raw suppliers

Chemical Property of (4E)-3-methyl-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one

Chemical Property:

Vapor Pressure:8.78E-05mmHg at 25°C
Boiling Point:340.1°C at 760 mmHg
Flash Point:157.1°C
Density:1.1g/cm³
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:213.078978594
Heavy Atom Count:16
Complexity:360

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC(=O)C1=CC=CC2=CC=CC=C2
Isomeric SMILES:CC\1=NOC(=O)/C1=C/C=C/C2=CC=CC=C2

Technology Process of (4E)-3-methyl-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one

There total 4 articles about (4E)-3-methyl-4-[(E)-3-phenylprop-2-enylidene]-1,2-oxazol-5-one 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: 96.0%

: 141-97-9
ethyl acetoacetate

: 104-55-2
3-phenyl-propenal

: 17975-54-1,52485-98-0
C₁₃H₁₁NO₂

Guidance literature:: ethyl acetoacetate; With sodium benzoate; hydroxylamine hydrochloride; In water; at 20 ℃; for 0.166667h;

3-phenyl-propenal; In water; at 20 ℃; for 2h;
DOI:10.5012/bkcs.2011.32.10.3559

Reference yield: 90.0%

: 14371-10-9
(E)-3-phenylpropenal

: 141-97-9
ethyl acetoacetate

: 17975-54-1,52485-98-0
(Z)-3-methyl-4-((E)-3-phenylallylidene)isoxazol-5(4H)-one

Guidance literature:: With tetrabutylammonium phthalimide-N-oxyl; hydroxylamine hydrochloride; In water; at 20 ℃; for 1.1h; Reagent/catalyst; Catalytic behavior; Green chemistry;
DOI:10.1007/s00706-015-1565-x

Reference yield: 70.0%

: 141-97-9
ethyl acetoacetate

: 104-55-2
3-phenyl-propenal

: 17975-54-1,52485-98-0
(Z)-3-methyl-4-((E)-3-phenylallylidene)isoxazol-5(4H)-one

Guidance literature:: With hydroxylamine hydrochloride; lithium bromide; In water; at 23 ℃; for 2.5h; Green chemistry;
DOI:10.1002/jccs.201700334