Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate

Base Information

• Chemical Name: Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate
• CAS No.: 7498-85-3
• Molecular Formula: C16H13NO2
• Molecular Weight: 251.285
• European Community (EC) Number: 652-056-6
• Nikkaji Number: J1.410.798C
• ChEMBL ID: CHEMBL4069249
• Mol file: 7498-85-3.mol

Synonyms:Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate;7498-85-3;ethyl (E)-2-cyano-3-naphthalen-1-ylprop-2-enoate;29707-99-1;ethyl 2-cyano-3-naphthalen-1-ylprop-2-enoate;MFCD00178328;Ethyl 2-cyano-trans-3-(1-naphthyl)acrylate;CHEMBL4069249;SCHEMBL10521426;AC7738;AKOS000656321;CCG-239773;AS-31698;Ethyl2-Cyano-3-(1-naphthalenyl)acrylate;A865759;ethyl (E)-2-cyano-3-(1-naphthyl)prop-2-enoate;Ethyl (2E)-2-cyano-3-(1-naphthyl)-2-propenoate #;ETHYL (2E)-2-CYANO-3-(NAPHTHALEN-1-YL)PROP-2-ENOATE

Chemical Property of Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate

Chemical Property:

• Vapor Pressure: 1.47E-07mmHg at 25°C
• Boiling Point: 428.8°Cat760mmHg
• Flash Point: 211.4°C
• PSA: 50.09000
• Density: 1.192g/cm³
• LogP: 3.30988
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 251.094628657
• Heavy Atom Count: 19
• Complexity: 404

Purity/Quality:

99% ^*data from raw suppliers

ETHYL2-CYANO-3-(1-NAPHTHALENYL)ACRYLATE 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=CC=CC2=CC=CC=C21)C#N
• Isomeric SMILES: CCOC(=O)/C(=C/C1=CC=CC2=CC=CC=C21)/C#N

Technology Process of Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate

There total 5 articles about Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate 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: 97.4%

1-naphthaldehyde (66-77-3) + ethyl 2-cyanoacetate (105-56-6) → 2-cyano-3-naphthalen-1-yl-acrylic acid ethyl ester (7498-85-3)

Guidance literature:

With Fe₃O₄(at)UiO-66-NH₂ core-shell nanohybrid (0.21 mmol -NH₂, 3%); In N,N-dimethyl-formamide; at 80 ℃; for 4h; Time;

DOI:10.1016/S1872-2067(16)62562-7

Reference yield: 80.0%

1-(dimethoxymethyl)naphthalene (33250-32-7) + ethyl 2-cyanoacetate (105-56-6) → 2-cyano-3-naphthalen-1-yl-acrylic acid ethyl ester (7498-85-3)

Guidance literature:

With Ni-Pd nanoparticles supported on poly (styrenesulfonic acid-n-vinylimidazole)/KIT-6; In water; at 45 ℃; for 4.5h;

DOI:10.1002/aoc.4800

Reference yield:

1-naphthalene methanol (4780-79-4) → 2-cyano-3-naphthalen-1-yl-acrylic acid ethyl ester (7498-85-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Ni₃(BTC)₂(2,4,6-tris(4-pyridyl)-1,3,5-triazine)₂ / acetonitrile / 12 h / 80 °C

2: Ni₃(BTC)₂(2,4,6-tris(4-pyridyl)-1,3,5-triazine)₂ / N,N-dimethyl-formamide / 12 h / 20 °C

With Ni₃(BTC)₂(2,4,6-tris(4-pyridyl)-1,3,5-triazine)₂; In N,N-dimethyl-formamide; acetonitrile; 2: |Knoevenagel Condensation;

DOI:10.1039/d0dt03565c

upstream raw materials:

1-naphthaldehyde

ethyl 2-cyanoacetate

ethanol

1-(dimethoxymethyl)naphthalene

Downstream raw materials:

2-Cyan-3.3-bis-<1>naphthyl-propionsaeure-aethylester

2-(naphthalen-1-yl(phenyl)methyl)malononitrile

3,3-Bis(1-naphthyl)propionsaeure

4'-amino-1-methyl-4-phenyl-2'(1'H)-thioxo-1,2-dihydrospiro-6'(5'H)-one

Refernces

• 1、 Zhou, Yu,Jin, Yanhua,Wang, Meng,Zhang, Wei,Xie, Jingyan,Gu, Jing,Wen, Haimeng,Wang, Jun,Peng, Luming. "One-Pot Synthesis of Zeolitic Strong Solid Bases: A Family of Alkaline-Earth Metal-Containing Silicalite-1". . p. 15412 - 15420. Retrieved 2015.
• 2、 Zhang, Ying-Ying,Liu, Qing,Zhang, Lin-Yan,Bao, Yu-Mei,Tan, Jing-Yi,Zhang, Na,Zhang, Jian-Yong,Liu, Zhen-Jiang. "MOFs assembled from C 3symmetric ligands: Structure, iodine capture and role as bifunctional catalysts towards the oxidation-Knoevenagel cascade reaction". supporting information. p. 647 - 659. Retrieved 2021/01/28.
• 3、 Javad Kalbasi, Roozbeh,Mesgarsaravi, Niloofar,Gharibi, Reza. "Synthesis of multifunctional polymer containing Ni-Pd NPs via thiol-ene reaction for one-pot cascade reactions". . . Retrieved 2019/02/03.