p-Pentyloxycinnamic acid

Base Information

• Chemical Name: p-Pentyloxycinnamic acid
• CAS No.: 62718-63-2
• Molecular Formula: C14H18 O3
• Molecular Weight: 234.295
• Hs Code.: 2918990090
• Nikkaji Number: J1.517.889B
• Mol file: 62718-63-2.mol

Synonyms:62718-63-2;p-Pentyloxycinnamic acid;4-AMYLOXYCINNAMIC ACID;3-(4-(Pentyloxy)phenyl)acrylic acid;3-(4-Pentyloxyphenyl)-2-propenoic acid;(E)-3-(4-pentoxyphenyl)prop-2-enoic acid;(E)-3-(4-(PENTYLOXY)PHENYL)ACRYLIC ACID;(2E)-3-[4-(pentyloxy)phenyl]prop-2-enoic acid;3-(4-(Pentyloxy)phenyl)acrylicacid;4-Pentoxycinnamic acid;SCHEMBL1551186;BBL020951;MFCD00037797;STK893657;AKOS001476739;NCGC00335711-01;VS-07123;CS-0326806;AB01328464-02;(2E)-3-[4-(Pentyloxy)phenyl]-2-propenoic acid;(2E)-3-[4-(Pentyloxy)phenyl]-2-propenoic acid #

Chemical Property of p-Pentyloxycinnamic acid

Chemical Property:

• Vapor Pressure: 9.41E-07mmHg at 25°C
• Melting Point: 138-145 °C
• Refractive Index: 1.5557 (estimate)
• Boiling Point: 389℃
• Flash Point: 144℃
• PSA: 46.53000
• Density: 1.089
• LogP: 3.35340
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-(Pentyloxy)phenyl)acrylicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=C(C=C1)C=CC(=O)O
• Isomeric SMILES: CCCCCOC1=CC=C(C=C1)/C=C/C(=O)O

Technology Process of p-Pentyloxycinnamic acid

There total 13 articles about p-Pentyloxycinnamic 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:

malonic acid (141-82-2) + 4-(n-pentyloxy)benzaldehyde (5736-91-4) → 4-pentyloxy-trans-cinnamic acid (62718-63-2)

Guidance literature:

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-pentyloxy-trans-cinnamic acid (62718-63-2)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; piperidine / Reflux

2: potassium hydroxide / methanol / Reflux

With piperidine; pyridine; potassium hydroxide; In methanol;

DOI:10.1080/15421406.2012.698234

Reference yield:

1-Bromopentane (110-53-2) → 4-pentyloxy-trans-cinnamic acid (62718-63-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / Reflux

2: pyridine; piperidine

With piperidine; pyridine; potassium carbonate; In acetone;

DOI:10.1080/15421406.2014.990224 DOI:10.1080/15421406.2016.1146937 DOI:10.1080/15421406.2016.1263119 DOI:10.1080/15421406.2018.1499595

upstream raw materials:

amyl iodide

p-Coumaric Acid

malonic acid

4-(n-pentyloxy)benzaldehyde

Downstream raw materials:

p-(p'-n-pentyloxycinnamoyloxy) benzaldehyde

Refernces

• 1、 Sharma, Vinay S.,Singh, Hemant Kumar,Sharma, Anuj S.,Shah, Akshara P.,Shah, Priyanka A.. "Bowl-shaped fluorescent liquid crystals derived from 4-: Tert butyl calix[4]arene and trans cinnamic acid derivatives". . p. 15575 - 15584. Retrieved 2019/10/19.
• 2、 Ranchchh, Avani R.,Bhoya. "Mesomorphism dependence on molecular rigidity and flexibility". . p. 43 - 51. Retrieved 2019/02/24.