ethyl (Z)-3-morpholin-4-ylbut-2-enoate

Base Information

• Chemical Name: ethyl (Z)-3-morpholin-4-ylbut-2-enoate
• CAS No.: 36277-32-4
• Molecular Formula: C₁₀H₁₇NO₃
• Molecular Weight: 199.25
• Hs Code.: 2934999090
• European Community (EC) Number: 854-961-3
• DSSTox Substance ID: DTXSID80367880
• Nikkaji Number: J99.596G,J2.623.988E
• Wikidata: Q82154034
• Mol file: 36277-32-4.mol

Synonyms:ethyl (Z)-3-morpholin-4-ylbut-2-enoate;36277-32-4;ethyl (2Z)-3-(morpholin-4-yl)but-2-enoate;3-Morpholin-4-yl-but-2-enoic acid ethyl ester;ethyl 3-(morpholin-4-yl)but-2-enoate;2-Butenoic acid, 3-(4-morpholinyl)-, ethyl ester;3-MORPHOLIN-4-YL-BUT-2-ENOICACIDETHYLESTER;DTXSID80367880;ETHYL BETA-MORPHOLINOCROTONATE;ethyl beta-(morpholin-4-yl)crotonate;AKOS008966916;3-Morpholino-2-butenoic acid ethyl ester;(Z)-3-Morpholino-2-butenoic acid ethyl ester;2-Butenoic acid,3-(4-morpholinyl)-,ethyl ester;(Z)-3-morpholin-4-yl-but-2-enoic acid ethyl ester

Chemical Property of ethyl (Z)-3-morpholin-4-ylbut-2-enoate

Chemical Property:

• Vapor Pressure: 0.00156mmHg at 25°C
• Boiling Point: 295.1°Cat760mmHg
• Flash Point: 132.3°C
• PSA: 38.77000
• Density: 1.073g/cm³
• LogP: 0.72340
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 199.12084340
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

3-Morpholin-4-yl-but-2-enoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C(C)N1CCOCC1
• Isomeric SMILES: CCOC(=O)/C=C(/C)\N1CCOCC1

Technology Process of ethyl (Z)-3-morpholin-4-ylbut-2-enoate

There total 1 articles about ethyl (Z)-3-morpholin-4-ylbut-2-enoate 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: 80.0%

morpholine (110-91-8,99108-56-2) + ethyl acetoacetate (141-97-9) → 1-(morpholin-4-yl)butane-1,3-dione (16695-54-8) + ethyl 3-morpholinobut-2-enoate (36277-32-4,55212-82-3,66003-96-1)

Guidance literature:

at 70 ℃; Product distribution; var. temp.;

Reference yield: 79.0%

ethyl 3-morpholinobut-2-enoate (36277-32-4,55212-82-3,66003-96-1) + 3-amino-3-thioxo-N-phenylpropanamide (59749-96-1) + ethylene dibromide (106-93-4) → 7-methyl-5-oxo-N-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxamide

Guidance literature:

ethyl 3-morpholinobut-2-enoate; 3-amino-N-phenyl-3-thioxopropanamide; ethylene dibromide; In ethanol; at 20 ℃; for 30h;

With potassium hydroxide; In ethanol; water; N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1007/s10593-020-02852-9

Reference yield: 78.0%

morpholine (110-91-8,99108-56-2) + ethyl 3-morpholinobut-2-enoate (36277-32-4,55212-82-3,66003-96-1) + 2-cyano-3-(2-nitrophenyl)prop-2-enethioamide (93440-30-3) → 5-Cyano-6-mercapto-2-methyl-4-(2-nitro-phenyl)-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid ethyl ester; compound with morpholine

Guidance literature:

In ethanol;

upstream raw materials:

morpholine

ethyl acetoacetate

Downstream raw materials:

2-morpholin-4-yl-4-oxo-cyclohex-2-enecarboxylic acid ethyl ester

2-hydroxy-6-methyl-4-morpholin-4-yl-benzoic acid ethyl ester

2-hydroxy-4-methyl-6-morpholin-4-yl-benzoic acid ethyl ester

Ethyl 2-(2-propinyl)-3-benzylamino-crotonat