3-(Cyclopentyloxy)-4-methoxybenzoic acid

Base Information

• Chemical Name: 3-(Cyclopentyloxy)-4-methoxybenzoic acid
• CAS No.: 144036-17-9
• Molecular Formula: C13H16 O4
• Molecular Weight: 236.268
• Hs Code.: 2918990090
• European Community (EC) Number: 630-186-4
• DSSTox Substance ID: DTXSID00381386
• Wikidata: Q72460516
• Mol file: 144036-17-9.mol

Synonyms:3-cyclopentyloxy-4-methoxybenzoic acid

Chemical Property of 3-(Cyclopentyloxy)-4-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 2.48E-06mmHg at 25°C
• Melting Point: 160-164°C
• Boiling Point: 376.3°Cat760mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 142°C
• PSA: 55.76000
• Density: 1.213g/cm³
• LogP: 2.71480
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

3-(cyclopentyloxy)-4-methoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

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

Technology Process of 3-(Cyclopentyloxy)-4-methoxybenzoic acid

There total 9 articles about 3-(Cyclopentyloxy)-4-methoxybenzoic 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: 93.0%

methyl 3-(cyclopentyloxy)-4-methoxybenzoate (154464-24-1) → 3-cyclopentyloxy-4-methoxy benzoic acid (144036-17-9)

Guidance literature:

With potassium hydroxide; In methanol; water; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2015.10.033

Reference yield: 92.0%

3-cyclopentyloxy-4-methoxybenzylaldehyde (67387-76-2) → 3-cyclopentyloxy-4-methoxy benzoic acid (144036-17-9)

Guidance literature:

With sodium chlorite; aminosulfonic acid; acetic acid; for 1h; Ambient temperature;

DOI:10.1021/jm00037a021

Reference yield: 90.0%

aminosulfonic acid (5329-14-6) + 3-cyclopentyloxy-4-methoxybenzylaldehyde (67387-76-2) → 3-cyclopentyloxy-4-methoxy benzoic acid (144036-17-9)

Guidance literature:

With sodium chloride; In water; acetic acid;

upstream raw materials:

3-cyclopentyloxy-4-methoxybenzylaldehyde

isovanillin

Cyclopentyl bromide

sodium chlorite

Downstream raw materials:

3-cyclopentyloxy-4-methoxy benzoic acid chloride

N-(Benzyloxycarbamoyl-methyl)-3-cyclopentyloxy-4-methoxy-benzamide

N-((S)-1-Benzyloxycarbamoyl-ethyl)-3-cyclopentyloxy-4-methoxy-benzamide