p-(Hexyloxy)cinnamic acid

Base Information

• Chemical Name: p-(Hexyloxy)cinnamic acid
• CAS No.: 33602-00-5
• Molecular Formula: C15H20 O3
• Molecular Weight: 248.322
• Hs Code.: 2918990090
• European Community (EC) Number: 251-587-7
• Nikkaji Number: J834.003J,J308.505H
• ChEMBL ID: CHEMBL98914
• Mol file: 33602-00-5.mol

Synonyms:p-(Hexyloxy)cinnamic acid;33602-00-5;EINECS 251-587-7;4-(Hexyloxy)cinnamic acid;CHEMBL98914;SCHEMBL7044767;SCHEMBL7087163;STK082420;3-[4-(Hexyloxy)phenyl]propenoic acid;AKOS000508260;2-Propenoic acid, 3-(4-(hexyloxy)phenyl)-;(2E)-3-[4-(hexyloxy)phenyl]prop-2-enoic acid

Chemical Property of p-(Hexyloxy)cinnamic acid

Chemical Property:

• Vapor Pressure: 3.58E-07mmHg at 25°C
• Boiling Point: 401.6°Cat760mmHg
• Flash Point: 145.8°C
• PSA: 46.53000
• Density: 1.072g/cm³
• LogP: 3.74350
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 253

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C=CC(=O)O
• Isomeric SMILES: CCCCCCOC1=CC=C(C=C1)/C=C/C(=O)O

Technology Process of p-(Hexyloxy)cinnamic acid

There total 24 articles about p-(Hexyloxy)cinnamic 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: 90.0%

→ (2E)-3-[4-(hexyloxy)phenyl]-2-propenoic acid (33602-00-5)

Guidance literature:

Reference yield: 78.0%

1-bromo-hexane (111-25-1) + p-Coumaric Acid (7400-08-0,50940-26-6) → (2E)-3-[4-(hexyloxy)phenyl]-2-propenoic acid (33602-00-5)

Guidance literature:

With potassium hydroxide; potassium iodide; In ethanol; for 24h; Heating;

DOI:10.1039/b403656e

Reference yield:

malonic acid (141-82-2) + 4-(hexyloxy)benzaldehyde (5736-94-7) → (2E)-3-[4-(hexyloxy)phenyl]-2-propenoic acid (33602-00-5)

Guidance literature:

DOI:10.1016/S0022-2860(98)00401-3

upstream raw materials:

malonic acid

4-(hexyloxy)benzaldehyde

1-bromo-hexane

4-hydroxy-benzaldehyde

Downstream raw materials:

p-hexyloxycinnamoyl chloride

(E)-3-(4-Hexyloxy-phenyl)-acrylic acid 4-formyl-phenyl ester

C₂₈H₃₄O₅

C₂₅H₂₈O₅

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