3-(Hexyloxy)-6-hydroxybenzene-1,2-dicarbonitrile

Base Information

• Chemical Name: 3-(Hexyloxy)-6-hydroxybenzene-1,2-dicarbonitrile
• CAS No.: 75941-33-2
• Molecular Formula: C14H16N2O2
• Molecular Weight: 244.293
• DSSTox Substance ID: DTXSID00566873
• Wikidata: Q82452638
• Mol file: 75941-33-2.mol

Synonyms:75941-33-2;2,3-dicyano-4-hexyloxyphenol;SCHEMBL7770816;3-(HEXYLOXY)-6-HYDROXYBENZENE-1,2-DICARBONITRILE;DTXSID00566873;GTQZUSKKYDNKNK-UHFFFAOYSA-N;2,3-dicyanohydroquinone monohexyl ether

Chemical Property of 3-(Hexyloxy)-6-hydroxybenzene-1,2-dicarbonitrile

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 244.121177757
• Heavy Atom Count: 18
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=C(C(=C(C=C1)O)C#N)C#N

Technology Process of 3-(Hexyloxy)-6-hydroxybenzene-1,2-dicarbonitrile

There total 1 articles about 3-(Hexyloxy)-6-hydroxybenzene-1,2-dicarbonitrile 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: 27.5%

2,3-dicyano-1,4-hydroquinone (4733-50-0) + 4-methylbenzenesulfonic acid n-hexylester (3839-35-8) → 2,3-dicyanohydroquinone monohexyl ether (75941-33-2)

Guidance literature:

With sodium hydroxide; In toluene;

Reference yield:

trans-4-(4-Heptylcyclohexyl)benzoesaeurechlorid (81930-19-0) + 2,3-dicyanohydroquinone monohexyl ether (75941-33-2) → 4-(4-Heptyl-cyclohexyl)-benzoic acid 2,3-dicyano-4-hexyloxy-phenyl ester

Guidance literature:

In pyridine;

DOI:10.1080/00268948308084250

Reference yield:

4-(trans-4'-n-Pentylcyclohexyl)benzoic acid chloride (73011-79-7) + 2,3-dicyanohydroquinone monohexyl ether (75941-33-2) → 4-(4-Pentyl-cyclohexyl)-benzoic acid 2,3-dicyano-4-hexyloxy-phenyl ester

Guidance literature:

In pyridine;

DOI:10.1080/00268948308084250

upstream raw materials:

2,3-dicyano-1,4-hydroquinone

4-methylbenzenesulfonic acid n-hexylester