7,14-Diazadispiro[5.1.5.2]pentadecane-15-thione

Base Information

• Chemical Name: 7,14-Diazadispiro[5.1.5.2]pentadecane-15-thione
• CAS No.: 4833-50-5
• Molecular Formula: C13H22N2S
• Molecular Weight: 238.397
• European Community (EC) Number: 660-761-5
• NSC Number: 515893
• DSSTox Substance ID: DTXSID00357521
• ChEMBL ID: CHEMBL1352046
• Mol file: 4833-50-5.mol

Synonyms:7,14-Diazadispiro[5.1.5.2]pentadecane-15-thione;NSC515893;4833-50-5;MLS000757210;Oprea1_264126;SCHEMBL6236116;CHEMBL1352046;DTXSID00357521;URGJOYDECMYFMJ-UHFFFAOYSA-N;7,14-diazadispiro[5.1.5^{8}.2^{6}]pentadecane-15-thione;HMS2886A11;STL325845;AKOS022139921;NSC-515893;SMR000529043;7,15-diazadispiro[5.1.58.26]pentadecan-14-thion

Chemical Property of 7,14-Diazadispiro[5.1.5.2]pentadecane-15-thione

Chemical Property:

• Vapor Pressure: 8.12E-06mmHg at 25°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 238.15036988
• Heavy Atom Count: 16
• Complexity: 288

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)C(=S)NC3(N2)CCCCC3

Technology Process of 7,14-Diazadispiro[5.1.5.2]pentadecane-15-thione

There total 12 articles about 7,14-Diazadispiro[5.1.5.2]pentadecane-15-thione 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: 98.0%

sodium cyanide (773837-37-9) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → cyclohexanespiro-2'-(imidazolidin-4'-thione)-5'-spirocyclohexane (4833-50-5)

Guidance literature:

With diammonium sulfide; ammonium chloride; In water;

Reference yield: 98.0%

→ tetramethylimidazolidinethione + cyclohexanespiro-2'-(imidazolidin-4'-thione)-5'-spirocyclohexane (4833-50-5)

Guidance literature:

Reference yield: 91.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 1-aminocyclohexane carbonitrile hydrochloride (50846-38-3) → cyclohexanespiro-2'-(imidazolidin-4'-thione)-5'-spirocyclohexane (4833-50-5)

Guidance literature:

With potassium hydroxide; hydrogen sulfide; In ammonium hydroxide; ethanol; 1.) H₂S was added for 1 h, 0 deg C, 2.) standing overnight (in a stoppered flask);

upstream raw materials:

potassium cyanide

cyclohexanone

1-aminocyclohexane carbonitrile hydrochloride

2-aminoadamantane-2-carbonitrile hydrochloride

Downstream raw materials:

α,α-Pentamethylen-α-amino-thioessigsaeure-amid

14-p-tolylcarbamoyl-7,14-diazadispiro[5.1.5.2]pentadecane-15-thione