3-(4-Heptoxy-3-methoxyphenyl)prop-2-enoic acid

Base Information

• Chemical Name: 3-(4-Heptoxy-3-methoxyphenyl)prop-2-enoic acid
• CAS No.: 107524-27-6
• Molecular Formula: C17H24 O4
• Molecular Weight: 0
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30407220
• Mol file: 107524-27-6.mol

Synonyms:3-(4-heptoxy-3-methoxyphenyl)prop-2-enoic acid;DTXSID30407220

Chemical Property of 3-(4-Heptoxy-3-methoxyphenyl)prop-2-enoic acid

Chemical Property:

• Vapor Pressure: 1.81E-08mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 438.6°Cat760mmHg
• Flash Point: 153.8°C
• PSA: 55.76000
• Density: 1.074g/cm³
• LogP: 4.14220
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 292.16745924
• Heavy Atom Count: 21
• Complexity: 314

Purity/Quality:

95% ^*data from raw suppliers

(2E)-3-[4-(HEPTYLOXY)-3-METHOXYPHENYL]ACRYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC1=C(C=C(C=C1)C=CC(=O)O)OC

Technology Process of 3-(4-Heptoxy-3-methoxyphenyl)prop-2-enoic acid

There total 3 articles about 3-(4-Heptoxy-3-methoxyphenyl)prop-2-enoic 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:

(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid (1135-24-6,537-98-4) → 4-heptyloxy-3-methoxy-trans-cinnamic acid (107524-27-6)

Guidance literature:

With potassium hydroxide; In ethanol; Reflux;

DOI:10.1080/15421406.2013.867228

Reference yield:

vanillin (121-33-5,8014-42-4) → 4-heptyloxy-3-methoxy-trans-cinnamic acid (107524-27-6)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; piperidine

2: potassium hydroxide / ethanol / Reflux

With piperidine; pyridine; potassium hydroxide; In ethanol;

DOI:10.1080/15421406.2013.867228

Reference yield:

→ 4-heptyloxy-3-methoxy-trans-cinnamic acid (107524-27-6)

Guidance literature:

/BRN= 3150457/;

upstream raw materials:

vanillin

(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

Downstream raw materials:

C₂₉H₃₁NO₆

C₁₇H₂₃ClO₃

Refernces