Ethyl 3-(2-amino-4-chlorophenyl)prop-2-enoate

Base Information

• Chemical Name: Ethyl 3-(2-amino-4-chlorophenyl)prop-2-enoate
• CAS No.: 397328-49-3
• Molecular Formula: C11H12ClNO2
• Molecular Weight: 225.674
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID80710453
• Mol file: 397328-49-3.mol

Synonyms:397328-49-3;ETHYL 3-(2-AMINO-4-CHLOROPHENYL)PROP-2-ENOATE;Ethyl 3-(2-amino-4-chlorophenyl)acrylate;DTXSID80710453;SGOIKSSENDMYNM-UHFFFAOYSA-N;ethyl (E)-3-(2-amino-4-chlorophenyl)acrylate;3-(2-amino-4-chloro-phenyl)-acrylic acid ethyl ester

Chemical Property of Ethyl 3-(2-amino-4-chlorophenyl)prop-2-enoate

Chemical Property:

• Vapor Pressure: 1.04E-05mmHg at 25°C
• Boiling Point: 371.3°C at 760 mmHg
• PKA: 0.66±0.10(Predicted)
• Flash Point: 178.4°C
• PSA: 52.32000
• Density: 1.245g/cm³
• LogP: 3.07970
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 225.0556563
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl3-(2-amino-4-chlorophenyl)acrylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=CC1=C(C=C(C=C1)Cl)N

Technology Process of Ethyl 3-(2-amino-4-chlorophenyl)prop-2-enoate

There total 6 articles about Ethyl 3-(2-amino-4-chlorophenyl)prop-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: 91.0%

ethyl 3-(4-chloro-2-nitrophenyl)acrylate (231294-99-8) → 3-(4-chloro-2-aminophenyl)acrylic acid ethyl ester (231295-00-4,397328-49-3)

Guidance literature:

With ammonium chloride; iron; In ethanol; water; at 85 ℃; for 1h;

DOI:10.1021/jo034274r

Reference yield: 88.0%

5-chloro-2-iodoaniline (6828-35-9) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 3-(2-amino-4-chlorophenyl)acrylate (397328-49-3)

Guidance literature:

With palladium 10% on activated carbon; triethylamine; In 1,4-dioxane; at 100 ℃; for 20h; Schlenk technique;

DOI:10.1055/s-0036-1590895

Reference yield:

sodium hydrogencarbonate (144-55-8) + ethyl 3-(4-chloro-2-nitrophenyl)acrylate (231294-99-8) → 3-(4-chloro-2-aminophenyl)acrylic acid ethyl ester (231295-00-4,397328-49-3)

Guidance literature:

With sodium dithionite; In THF-H₂O;

upstream raw materials:

ethyl 3-(4-chloro-2-nitrophenyl)acrylate

2-chloro-5-bromonitrobenzene

ethyl acrylate

sodium hydrogencarbonate