Ethyl p-ethoxycinnamate

Base Information

• Chemical Name: Ethyl p-ethoxycinnamate
• CAS No.: 1504-69-4
• Molecular Formula: C13H16 O3
• Molecular Weight: 220.268
• Hs Code.: 2918990090
• European Community (EC) Number: 216-130-8
• NSC Number: 69124
• DSSTox Substance ID: DTXSID00872860
• Nikkaji Number: J144.300C,J206.711K
• Wikidata: Q81978523
• Mol file: 1504-69-4.mol

Synonyms:75332-46-6;Ethyl p-ethoxycinnamate;Ethyl trans-4-ethoxycinnamate;1504-69-4;ethyl (E)-3-(4-ethoxyphenyl)prop-2-enoate;ethyl 3-(4-ethoxyphenyl)prop-2-enoate;Ethyl (E)-3-(4-ethoxyphenyl)acrylate;ethyl (2E)-3-(4-ethoxyphenyl)prop-2-enoate;EINECS 216-130-8;2-Propenoic acid, 3-(4-ethoxyphenyl)-, ethyl ester, (E)-;starbld0008942;SCHEMBL1959915;SCHEMBL2043458;DTXSID00872860;XFRWZVXVZIQXFI-JXMROGBWSA-N;NSC69124;Ethyl trans-4-ethoxycinnamate, 97%;NSC 69124;NSC-69124;AKOS015915421;4-Ethoxy-trans-cinnamic acid ethyl ester;ETHYL TRANS-4-ETHOXYCINNAMATE 97;CS-0347722;3-(4-Ethoxy-phenyl)-acrylic acid ethyl ester;3-(4-Ethoxyphenyl)propenoic acid ethyl ester;EN300-1453813;Ethyl (2E)-3-(4-ethoxyphenyl)-2-propenoate #

Chemical Property of Ethyl p-ethoxycinnamate

Chemical Property:

• Vapor Pressure: 9.05E-05mmHg at 25°C
• Boiling Point: 339.7°Cat760mmHg
• Flash Point: 140.6°C
• PSA: 35.53000
• Density: 1.061g/cm³
• LogP: 2.66160
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-PARA-ETHOXYCINNAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl p-ethoxycinnamate

There total 1 articles about Ethyl p-ethoxycinnamate 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:

hydrogen ethyl malonate (1071-46-1) + 4-ethoxybenzaldehyde (10031-82-0) → ethyl 4-ethoxycinnamate (1504-69-4)

Guidance literature:

With piperidine; pyridine;

DOI:10.1021/jm00327a010

Reference yield: 95.0%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + ethyl 4-ethoxycinnamate (1504-69-4) → C16H22O3 (1279129-33-7)

Guidance literature:

With [(C₆H₆)(PCy₃)(CO)RuH]⁺*BF₄^?; In dichloromethane; at 70 ℃; for 2h; regioselective reaction;

DOI:10.1002/anie.201006411

Reference yield: 82.0%

ethyl 4-ethoxycinnamate (1504-69-4) + di(p-tolyl)phosphine oxide (2409-61-2) → C26H29O4P

Guidance literature:

at 180 ℃; for 0.5h; Neat (no solvent); Inert atmosphere; Microwave irradiation;

DOI:10.1021/jo202183u

upstream raw materials:

hydrogen ethyl malonate

4-ethoxybenzaldehyde

Downstream raw materials:

3-(4-Ethoxy-phenyl)-prop-2-en-1-ol

1-(4-Ethoxy-phenyl)-3-chlor-prop-1-en

C₁₆H₂₂O₃