3-(Cyclopentyloxy)-4-methoxybenzaldehyde

Base Information

• Chemical Name: 3-(Cyclopentyloxy)-4-methoxybenzaldehyde
• CAS No.: 67387-76-2
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• Hs Code.: 2912499000
• European Community (EC) Number: 809-475-6
• DSSTox Substance ID: DTXSID60371006
• Nikkaji Number: J1.026.910E
• Wikidata: Q72460509
• Mol file: 67387-76-2.mol

Synonyms:3-cyclopentyloxy-4-methoxybenzaldehyde

Chemical Property of 3-(Cyclopentyloxy)-4-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 3.97E-05mmHg at 25°C
• Melting Point: 107-110℃ (ethyl acetate )
• Refractive Index: 1.561
• Boiling Point: 351.9 °C at 760 mmHg
• Flash Point: 157.9 °C
• PSA: 35.53000
• Density: 1.136 g/cm³
• LogP: 2.82910
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

98%min ^*data from raw suppliers

3-Cyclopentyloxy-4-methoxybenzaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=O)OC2CCCC2

Technology Process of 3-(Cyclopentyloxy)-4-methoxybenzaldehyde

There total 9 articles about 3-(Cyclopentyloxy)-4-methoxybenzaldehyde 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: 100.0%

isovanillin (621-59-0) + cyclopentyl chloride (930-28-9) → 3-cyclopentyloxy-4-methoxybenzylaldehyde (67387-76-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 125 ℃; for 2h;

Reference yield: 99.0%

isovanillin (621-59-0) + Cyclopentyl bromide (137-43-9) → 3-cyclopentyloxy-4-methoxybenzylaldehyde (67387-76-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 65 ℃; for 16h;

DOI:10.1021/jm00024a012

Reference yield: 97.0%

→ 3-cyclopentyloxy-4-methoxybenzylaldehyde (67387-76-2)

Guidance literature:

upstream raw materials:

isovanillin

Cyclopentyl bromide

vanillin

3,4-dihydroxybenzaldehyde

Downstream raw materials:

(E)-3-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-methyl-acrylic acid ethyl ester

(E)-methyl-3-<3-(cyclopenyloxy)-4-methoxyphenyl>prop-2-enoate

1-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylmethanol

4-[2-(3-Cyclopentyloxy-4-methoxyphenyl)-2-hydroxyethyl]pyridine

Refernces

• 1、 Wilk, Bogdan K.,Mwisiya, Nalukui,Helom, Jean L.. "Solving a scale-up problem in the 0-alkylation of isovanillin under phase-transfer catalysis conditions". . p. 785 - 786. Retrieved 2008.
• 2、 Brullo, Chiara,Massa, Matteo,Rapetti, Federica,Alfei, Silvana,Bertolotto, Maria B.,Montecucco, Fabrizio,Signorello, Maria Grazia,Bruno, Olga. "New hybrid pyrazole and imidazopyrazole antinflammatory agents able to reduce ROS production in different biological targets". . . Retrieved 2020/02/22.
• 3、 Czopek, Anna,Bucki, Adam,Ko?aczkowski, Marcin,Zagórska, Agnieszka,Drop, Marcin,Paw?owski, Maciej,Siwek, Agata,G?uch-Lutwin, Monika,P?kala, El?bieta,Chrzanowska, Alicja,Struga, Marta,Partyka, Anna,Weso?owska, Anna. "Novel multitarget 5-arylidenehydantoins with arylpiperazinealkyl fragment: Pharmacological evaluation and investigation of cytotoxicity and metabolic stability". supporting information. p. 4163 - 4173. Retrieved 2019/08/07.