2-Butenoic acid, 3-amino-, ethyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 3-amino-, ethyl ester
• CAS No.: 7318-00-5
• Molecular Formula: C₆H₁₁NO₂
• Molecular Weight: 129.159
• Hs Code.: 29224999
• European Community (EC) Number: 230-782-0
• DSSTox Substance ID: DTXSID701282400
• Mol file: 7318-00-5.mol

Synonyms:7318-00-5;ethyl 3-aminobut-2-enoate;Ethyl 3-amino-2-butenoate;2-Butenoic acid, 3-amino-, ethyl ester;3-Amino-but-2-enoic acid ethyl ester;(E)-Ethyl 3-aminobut-2-enoate;Ethyl (2E)-3-amino-2-butenoate;DTXSID701282400;AKOS025243554;E0709;FT-0625755;FT-0632638;A26545

Chemical Property of 2-Butenoic acid, 3-amino-, ethyl ester

Chemical Property:

• Appearance/Colour: Slightly yellow low melting solid or liquid
• Vapor Pressure: 0.173mmHg at 25°C
• Melting Point: 33-35 °C(lit.)
• Refractive Index: 1.5-1.502
• Boiling Point: 212.5 °C at 760 mmHg
• PKA: 5.32±0.70(Predicted)
• Flash Point: 97.2 °C
• PSA: 52.32000
• Density: 1.007 g/cm³
• LogP: 1.11230
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 3-Aminocrotonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C(C)N

Technology Process of 2-Butenoic acid, 3-amino-, ethyl ester

There total 22 articles about 2-Butenoic acid, 3-amino-, ethyl ester 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%

ethyl acetoacetate (141-97-9) → ethyl aminocrotonate (626-34-6,7318-00-5,41867-20-3)

Guidance literature:

With ammonium acetate; In ethanol; at 20 ℃; for 6h;

DOI:10.1016/j.crci.2010.09.009

Reference yield: 65.0%

4-chloro-2H-chromene-3-carboxaldehyde (14063-82-2) + ethyl acetoacetate (141-97-9) → diethyl-4-(4-chloro-2H-chromen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate + ethyl aminocrotonate (626-34-6,7318-00-5,41867-20-3) + ethyl 2-methyl-5H-chromeno[3,4-c]pyridine-1-carboxylate

Guidance literature:

With ammonium acetate; In methanol; at 20 ℃;

DOI:10.1080/00397911.2019.1631850

Reference yield: 28.0%

ethyl acetoacetate (141-97-9) + 4-methoxy-benzaldehyde (123-11-5) → C14H17NO3 (1309978-19-5) + ethyl aminocrotonate (626-34-6,7318-00-5,41867-20-3)

Guidance literature:

With ammonium acetate; In ethanol; at 20 ℃; for 6h;

DOI:10.1016/j.crci.2010.09.009

upstream raw materials:

Ethyl 2-butynoate

ethyl acetoacetate

E-Ethyl β-chlorocrotonate

ethanol

Downstream raw materials:

2,4-dimethyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester

2,4,5-trimethyl-3-ethoxycarbonylpyrrole

ethyl (Z/E)-β-acetylaminobut-2-enoate

2-(1-amino-ethylidene)-N-(4-chloro-phenyl)-malonamic acid ethyl ester

Refernces

• 1、 -. "HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF". Paragraph 0859-0860. . Retrieved 2021/02/25.
• 2、 Hariprasad, K. S.,Prakasham, R. S.,Praveena, G.,Raju, B. China,Ramya, S.,Suchitra Rani, K.,Tiwari, A. K.,Zehra, A.. "Synthesis and Biological Activities of Nicotinaldehyde Based 1,4-Dihydropyridinedicarboxylates". . p. 1335 - 1340. Retrieved 2021/12/23.