Methyl beta-hydroxy-alpha-methylene-5-phenyl-3-isoxazolepropanoate

Base Information

Chemical Name:Methyl beta-hydroxy-alpha-methylene-5-phenyl-3-isoxazolepropanoate
CAS No.:640292-08-6
Molecular Formula:C14H13NO4
Molecular Weight:259.262
Hs Code.:
DSSTox Substance ID:DTXSID401188924
Nikkaji Number:J1.971.547G

Synonyms:DTXSID401188924;640292-08-6;Methyl beta-hydroxy-alpha-methylene-5-phenyl-3-isoxazolepropanoate

Suppliers and Price of Methyl beta-hydroxy-alpha-methylene-5-phenyl-3-isoxazolepropanoate

Supply Marketing:

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

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Chemical Property of Methyl beta-hydroxy-alpha-methylene-5-phenyl-3-isoxazolepropanoate

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:259.08445790
Heavy Atom Count:19
Complexity:338

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(=C)C(C1=NOC(=C1)C2=CC=CC=C2)O

Technology Process of Methyl beta-hydroxy-alpha-methylene-5-phenyl-3-isoxazolepropanoate

There total 4 articles about Methyl beta-hydroxy-alpha-methylene-5-phenyl-3-isoxazolepropanoate 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: 90.0%

: 59985-82-9
5-phenylisoxazole-3-carbaldehyde

: 292638-85-8,9003-21-8,96-33-3
acrylic acid methyl ester

: 640292-08-6
2-[hydroxy-(5-phenylisoxazol-3-yl)methyl]acrylic acid methyl ester

Guidance literature:: acrylic acid methyl ester; With 1,4-diaza-bicyclo[2.2.2]octane; at 20 ℃; for 0.166667h;

5-phenylisoxazole-3-carbaldehyde; at 20 ℃;
DOI:10.1055/s-2003-41072

Reference yield:

: 1619-37-0
(5-phenylisoxazol-3-yl)methanol

: 640292-08-6
2-[hydroxy-(5-phenylisoxazol-3-yl)methyl]acrylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: PCC / CH₂Cl₂ / 5 h / 20 °C

2.1: DABCO / 0.17 h / 20 °C

2.2: 90 percent / 20 °C

With 1,4-diaza-bicyclo[2.2.2]octane; pyridinium chlorochromate; In dichloromethane; 2.2: Baylis-Hillman reaction;
DOI:10.1055/s-2003-41072

Reference yield:

: 7063-99-2
ethyl 5-phenylisoxazole-3-carboxylate

: 640292-08-6
2-[hydroxy-(5-phenylisoxazol-3-yl)methyl]acrylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: LiAlH₄ / diethyl ether / 0.5 h / 40 °C

2.1: PCC / CH₂Cl₂ / 5 h / 20 °C

3.1: DABCO / 0.17 h / 20 °C

3.2: 90 percent / 20 °C

With 1,4-diaza-bicyclo[2.2.2]octane; lithium aluminium tetrahydride; pyridinium chlorochromate; In diethyl ether; dichloromethane; 3.2: Baylis-Hillman reaction;
DOI:10.1055/s-2003-41072