3-(Cyclohexyloxy)-4-methoxybenzoic acid

Base Information

• Chemical Name: 3-(Cyclohexyloxy)-4-methoxybenzoic acid
• CAS No.: 144036-18-0
• Molecular Formula: C₁₄H₁₈O₄
• Molecular Weight: 250.295
• DSSTox Substance ID: DTXSID501279835

Synonyms:SCHEMBL7336609;DTXSID501279835;3-(Cyclohexyloxy)-4-methoxybenzoic acid;144036-18-0

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

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)O)OC2CCCCC2

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

There total 3 articles about 3-(Cyclohexyloxy)-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:

isovanillin (621-59-0) → 3-Cyclohexyloxy-4-methoxy-benzoic acid (144036-18-0)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃, KI / dimethylformamide / 21 h / 65 °C

2: sulfamic acid, aq. AcOH, aq. NaClO₂ / 1 h / Ambient temperature

With sodium chlorite; aminosulfonic acid; potassium carbonate; acetic acid; potassium iodide; In N,N-dimethyl-formamide;

DOI:10.1021/jm00037a021

Reference yield:

1-bromocyclohexane (108-85-0) → 3-Cyclohexyloxy-4-methoxy-benzoic acid (144036-18-0)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃, KI / dimethylformamide / 21 h / 65 °C

2: sulfamic acid, aq. AcOH, aq. NaClO₂ / 1 h / Ambient temperature

With sodium chlorite; aminosulfonic acid; potassium carbonate; acetic acid; potassium iodide; In N,N-dimethyl-formamide;

DOI:10.1021/jm00037a021

Reference yield:

3-(cyclohexyloxy)-4-methoxybenzaldehyde (144036-16-8) → 3-Cyclohexyloxy-4-methoxy-benzoic acid (144036-18-0)

Guidance literature:

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

DOI:10.1021/jm00037a021

upstream raw materials:

3-(cyclohexyloxy)-4-methoxybenzaldehyde

isovanillin

1-bromocyclohexane

Downstream raw materials:

3-Cyclohexyloxy-4-methoxy-benzoyl chloride

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