1-Hydroxycyclopentanecarbonitrile

Base Information

• Chemical Name: 1-Hydroxycyclopentanecarbonitrile
• CAS No.: 5117-85-1
• Molecular Formula: C6H9NO
• Molecular Weight: 111.144
• Hs Code.: 2926909090
• European Community (EC) Number: 610-627-7
• DSSTox Substance ID: DTXSID90199194
• Nikkaji Number: J48.251J
• Wikidata: Q83072103
• Mol file: 5117-85-1.mol

Synonyms:1-Hydroxycyclopentanecarbonitrile;5117-85-1;1-hydroxycyclopentane-1-carbonitrile;1-Hydroxy-cyclopentanecarbonitrile;Cyclopentanecarbonitrile, 1-hydroxy-;Cyclopentanecarbonitrile,1-hydroxy-;BRN 2689354;ghl.PD_Mitscher_leg0.44;SCHEMBL1703692;DTXSID90199194;MFCD00043764;AKOS005215750;AB91846;AS-40251;LS-57830;CS-0206782;EN300-54139;A898249;Z419078448

Chemical Property of 1-Hydroxycyclopentanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.00447mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 246.4 °C at 760 mmHg
• Flash Point: 102.8 °C
• PSA: 44.02000
• Density: 1.1 g/cm³
• LogP: 0.81508
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.068413911
• Heavy Atom Count: 8
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

1-Hydroxycyclopentane-1-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(C1)(C#N)O

Technology Process of 1-Hydroxycyclopentanecarbonitrile

There total 15 articles about 1-Hydroxycyclopentanecarbonitrile 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: 95.0%

Cyclopentanol (96-41-3) + sodium thiocyanide (540-72-7) → 1-hydroxycyclopentanecarbonitrile (5117-85-1)

Guidance literature:

With sodium metabisulfite;

Reference yield: 95.0%

2-hydroxy-2-methylpropanenitrile (75-86-5) + cyclopentanone (120-92-3) → 1-hydroxycyclopentanecarbonitrile (5117-85-1)

Guidance literature:

With Hevea brasiliensis (S)-hydroxynitrile lyase; pH=4.5; aq. buffer; Enzymatic reaction;

DOI:10.1016/j.tetlet.2012.02.025

Reference yield: 93.0%

potassium cyanide (151-50-8) + cyclopentanone (120-92-3) → 1-hydroxycyclopentanecarbonitrile (5117-85-1)

Guidance literature:

With acetic acid; In diethyl ether; water;

DOI:10.1007/BF00963691

upstream raw materials:

1,4-dioxane

hydrogen cyanide

cyclopentanone

ethanol

Downstream raw materials:

1-tetrahydropyran-2-yloxy-cyclopentanecarbonitrile

1-methylcyclopentanol

hydrogen cyanide

cyclopentanone