Trans-3-Ethoxycinnamic Acid

Base Information

• Chemical Name: Trans-3-Ethoxycinnamic Acid
• CAS No.: 103986-73-8
• Molecular Formula: C11H12 O3
• Molecular Weight: 192.214
• Hs Code.: 2918990090
• European Community (EC) Number: 634-629-2
• Wikidata: Q76310771
• ChEMBL ID: CHEMBL1464150
• Mol file: 103986-73-8.mol

Synonyms:Trans-3-Ethoxycinnamic Acid;103986-73-8;(2E)-3-(3-ethoxyphenyl)acrylic acid;188545-72-4;(2E)-3-(3-ethoxyphenyl)prop-2-enoic acid;3-(3-ethoxyphenyl)acrylic acid;(E)-3-(3-Ethoxyphenyl)acrylic acid;TRANS-3-ETHOXYCINNAMICACID;(2E)-3-(3-ethoxyphenyl)prop-2-enoic acid, E;(E)-3-(3-ethoxyphenyl)prop-2-enoic acid;3-Ethoxycinnamic acid, predominantly trans;3-ethoxy-cinnamic acid;MFCD00016843;MLS000673859;SCHEMBL764029;CHEMBL1464150;DOEYODSOYOGJQH-VOTSOKGWSA-N;HMS2732N03;?TRANS-3-ETHOXYCINNAMIC ACID;BBL022449;STK504018;AKOS001476038;PS-4508;SMR000315100;CS-0449374;EN300-315326;F78671;3-Ethoxycinnamic acid, predominantly trans, 97%;EN300-1867322;J-001084;Z2587996047

Chemical Property of Trans-3-Ethoxycinnamic Acid

Chemical Property:

• Vapor Pressure: 3.06E-05mmHg at 25°C
• Melting Point: 131-133 °C(lit.)
• Refractive Index: 1.579
• Boiling Point: 341.6°Cat760mmHg
• PKA: 4.39±0.10(Predicted)
• Flash Point: 133.8°C
• PSA: 46.53000
• Density: 1.161g/cm³
• LogP: 2.18310
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

≥99.0% ^*data from raw suppliers

trans-3-EthoxycinnamicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Trans-3-Ethoxycinnamic Acid

There total 6 articles about Trans-3-Ethoxycinnamic 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: 47.0%

malonic acid (141-82-2) + 3-ethoxybenzaldehyde (22924-15-8) → 3-amino-3-(3-ethoxy-phenyl)-propionic acid + (E)-3-ethoxycinnamic acid (103986-73-8)

Guidance literature:

With ammonium acetate; In butan-1-ol; Heating;

DOI:10.1007/s11176-005-0377-9

Reference yield:

ethyl bromide (74-96-4) + 3-hydroxy-trans-cinnamic acid (14755-02-3,588-30-7) → (E)-3-ethoxycinnamic acid (103986-73-8)

Guidance literature:

With sodium hydroxide; In ethanol; water;

Reference yield:

meta-hydroxybenzaldehyde (100-83-4) → 3-ethoxy-cinnamic acid (103986-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: alcohol; KOH / 100 °C

2: sodium acetate

With potassium hydroxide; ethanol; sodium acetate;

upstream raw materials:

3-ethoxybenzaldehyde

sodium acetate

acetic anhydride

meta-hydroxybenzaldehyde

Downstream raw materials:

C₁₁H₁₁ClO₂

3-(3-ethoxy-phenyl)-propionic acid ethyl ester

3-(3-ethoxy-phenyl)-acrylic acid ethyl ester

Refernces

• 1、 -. "Juvenile hormone mimics". . . Retrieved 2008/06/13.