1-Hydroxycycloheptane-1-carbonitrile

Base Information

• Chemical Name: 1-Hydroxycycloheptane-1-carbonitrile
• CAS No.: 19036-56-7
• Molecular Formula: C8H13NO
• Molecular Weight: 139.197
• European Community (EC) Number: 631-567-8
• NSC Number: 97768
• DSSTox Substance ID: DTXSID90294734
• Nikkaji Number: J31.683K
• Wikidata: Q82034182
• Mol file: 19036-56-7.mol

Synonyms:1-Hydroxycycloheptanecarbonitrile;19036-56-7;1-hydroxycycloheptane-1-carbonitrile;1-Hydroxy-cycloheptanecarbonitrile;NSC97768;NCIOpen2_001641;SCHEMBL11687828;DTXSID90294734;NSC-97768;AKOS009434330

Chemical Property of 1-Hydroxycycloheptane-1-carbonitrile

Chemical Property:

• Vapor Pressure: 0.00054mmHg at 25°C
• Boiling Point: 277.9°C at 760 mmHg
• Flash Point: 121.9°C
• Density: 1.03g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.099714038
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)(C#N)O

Technology Process of 1-Hydroxycycloheptane-1-carbonitrile

There total 9 articles about 1-Hydroxycycloheptane-1-carbonitrile 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: 79.0%

potassium cyanide + cycloheptanone (502-42-1) → 1-hydroxy-cycloheptanecarbonitrile (19036-56-7)

Guidance literature:

With sodium hypochlorite; sulfuric acid; iron(II) sulfate; In water; for 0.833333h; Cooling with ice;

DOI:10.1134/S1070363214110309

Reference yield: 70.0%

potassium cyanide (151-50-8) + cycloheptanone (502-42-1) → 1-hydroxy-cycloheptanecarbonitrile (19036-56-7)

Guidance literature:

With acetic acid; In diethyl ether; water;

DOI:10.1007/BF00963691

Reference yield:

sodium cyanide (143-33-9,25596-52-5) + cycloheptanone (502-42-1) → 1-hydroxy-cycloheptanecarbonitrile (19036-56-7)

Guidance literature:

With sodium hydrogensulfite; In water; for 8h; Yield given;

DOI:10.1021/jo00252a033

upstream raw materials:

ethanol

hydrogen cyanide

cycloheptanone

potassium cyanide

Downstream raw materials:

hydrogen cyanide

cycloheptanone

1-(aminomethyl)cycloheptanol

cyclohept-1-enecarbonitrile

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