3-(4-Ethoxybenzoyl)acrylic acid

Base Information

• Chemical Name: 3-(4-Ethoxybenzoyl)acrylic acid
• CAS No.: 29582-31-8
• Molecular Formula: C12H12O4
• Molecular Weight: 220.2213
• Hs Code.: 29183000
• European Community (EC) Number: 672-259-3
• DSSTox Substance ID: DTXSID701347743
• Nikkaji Number: J387.815E
• ChEMBL ID: CHEMBL4548335
• Mol file: 29582-31-8.mol

Synonyms:3-(4-Ethoxybenzoyl)acrylic acid;29582-31-8;(E)-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid;4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid;(4-Ethoxybenzoyl)-3-acrylic acid;(2E)-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid;SCHEMBL600339;SCHEMBL600340;CHEMBL4548335;WKIKNOMECIZQHQ-BQYQJAHWSA-N;DTXSID701347743;HMS1452B17;3-(4-Ethoxybenzoyl)propenoic acid;STR08420;MFCD00075337;AKOS005203247;PS-4969;IDI1_018810;CS-0450671;(2E)-4-(4-ethoxyphenyl)-4-oxo-2-butenoic acid;A819968;2-Butenoic acid,4-(4-ethoxyphenyl)-4-oxo-,(2E)-

Chemical Property of 3-(4-Ethoxybenzoyl)acrylic acid

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 4.68E-07mmHg at 25°C
• Melting Point: 140-144oC
• Boiling Point: 398.2 °C at 760 mmHg
• Flash Point: 155.2 °C
• PSA: 63.60000
• Density: 1.205 g/cm³
• LogP: 1.90880
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 220.07355886
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Ethoxybenzoyl)acrylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)C=CC(=O)O
• Isomeric SMILES: CCOC1=CC=C(C=C1)C(=O)/C=C/C(=O)O

Technology Process of 3-(4-Ethoxybenzoyl)acrylic acid

There total 4 articles about 3-(4-Ethoxybenzoyl)acrylic acid 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: 72.0%

→ (E)-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid (29582-31-8)

Guidance literature:

With sulfuric acid; acetic acid; at 115 ℃; for 0.5h;

Reference yield:

maleic anhydride (108-31-6) + Phenetole (103-73-1) → (E)-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid (29582-31-8)

Guidance literature:

With aluminium trichloride;

Reference yield:

(Z)-3-(ethoxycarbonyl)propenoyl chloride (36680-28-1) + Phenetole (103-73-1) → (E)-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid (29582-31-8)

Guidance literature:

With aluminium trichloride; 1,1,2,2-tetrachloroethane;

upstream raw materials:

maleic anhydride

Phenetole

(Z)-3-(ethoxycarbonyl)propenoyl chloride

hydrogenchloride

Downstream raw materials:

2-(1,2-Dimethyl-1H-indol-3-yl)-4-(4-ethoxy-phenyl)-4-oxo-butyric acid

N-[6-(4-Ethoxy-phenyl)-4-(5-{N'-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazino}-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4,5-dihydro-pyridazin-3-yl]-N'-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazine

N-[6-(4-Ethoxy-phenyl)-4-(3-methyl-1-phenyl-5-{N'-[1-p-tolyl-meth-(E)-ylidene]-hydrazino}-1H-pyrazol-4-yl)-4,5-dihydro-pyridazin-3-yl]-N'-[1-p-tolyl-meth-(E)-ylidene]-hydrazine

N-[6-(4-Ethoxy-phenyl)-4-(3-methyl-1-phenyl-5-{N'-[1-phenyl-meth-(E)-ylidene]-hydrazino}-1H-pyrazol-4-yl)-4,5-dihydro-pyridazin-3-yl]-N'-[1-phenyl-meth-(E)-ylidene]-hydrazine

Refernces