3-(Cyclopentyloxy)-4-methoxybenzonitrile

Base Information

• Chemical Name: 3-(Cyclopentyloxy)-4-methoxybenzonitrile
• CAS No.: 159783-16-1
• Molecular Formula: C13H15 N O2
• Molecular Weight: 217.268
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90381395
• Wikidata: Q82172194
• Mol file: 159783-16-1.mol

Synonyms:3-(Cyclopentyloxy)-4-methoxybenzonitrile;159783-16-1;3-cyclopentyloxy-4-methoxybenzonitrile;Benzonitrile,3-(cyclopentyloxy)-4-methoxy-;SCHEMBL4940189;DTXSID90381395;KHBXUQZYMCKLFS-UHFFFAOYSA-N;MFCD00275566;AKOS005265207;PS-4402;3-(cyclopentoxy)-4-methoxy-benzonitrile;CS-0318478;FT-0613745;A810068;W-205852

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

Chemical Property:

• Vapor Pressure: 6.3E-05mmHg at 25°C
• Boiling Point: 345.1°C at 760 mmHg
• Flash Point: 128°C
• PSA: 42.25000
• Density: 1.12g/cm³
• LogP: 2.88828
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

3-(Cyclopentyloxy)-4-methoxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C#N)OC2CCCC2

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

There total 5 articles about 3-(Cyclopentyloxy)-4-methoxybenzonitrile 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:

3-cyclopentyloxy-4-methoxybenzylaldehyde (67387-76-2) → 3-(cyclopentyloxy)-4-methoxybenzonitrile (159783-16-1)

Guidance literature:

With hydroxylamine hydrochloride; In cyclohexane; acetic anhydride;

Reference yield:

3-cyclopentyloxy-4-methoxybenzylaldehyde (67387-76-2) → 3-(cyclopentyloxy)-4-methoxybenzonitrile (159783-16-1) + 4-methoxy-3-(tetrahydro-furan-3-yloxy)benzonitrile + 4-methoxy-3-(tetrahydrofuran-3-yloxy)benzaldehyde (171802-82-7)

Guidance literature:

With hydroxylamine hydrochloride; In cyclohexane; acetic anhydride;

Reference yield:

isovanillin (621-59-0) → 3-(cyclopentyloxy)-4-methoxybenzonitrile (159783-16-1)

Guidance literature:

Multi-step reaction with 2 steps

1: formic acid; hydroxylamine hydrochloride; sodium formate / 3 h / 125 °C

2: potassium carbonate / N,N-dimethyl-formamide

With formic acid; hydroxylamine hydrochloride; sodium formate; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1111/j.1747-0285.2011.01304.x

upstream raw materials:

3-cyclopentyloxy-4-methoxybenzylaldehyde

isovanillin

2-methoxy-5-cyanophenol

Downstream raw materials:

3-(3-(cyclopentyloxy)-4-methoxyphenyl)-5-phenyl-1,2,4-oxadiazole

3-(3-(cyclopentyloxy)-4-methoxyphenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-(3-(cyclopentyloxy)-4-methoxyphenyl)-1,2,4-oxadiazole

4-(3-(3-(cyclopentyloxy)-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)phenol