Cyclohexanamine, 2-(1-piperidinyl)-, (1S,2S)-

Base Information

• Chemical Name: Cyclohexanamine, 2-(1-piperidinyl)-, (1S,2S)-
• CAS No.: 824938-98-9
• Molecular Formula: C₁₁H₂₂N₂
• Molecular Weight: 182.309
• DSSTox Substance ID: DTXSID40478749
• Nikkaji Number: J3.372.403I
• Wikidata: Q82312322
• Mol file: 824938-98-9.mol

Synonyms:824938-98-9;(1S,2S)-2-(Piperidin-1-yl)cyclohexanamine;Cyclohexanamine, 2-(1-piperidinyl)-, (1S,2S)-;(1S,2S)-2-piperidin-1-ylcyclohexan-1-amine;(1S,2S)-2-(1-Piperidinyl)cyclohexylamine;SCHEMBL20063736;DTXSID40478749;ZHB93898;AS-81852;CS-0091858;E81104

Chemical Property of Cyclohexanamine, 2-(1-piperidinyl)-, (1S,2S)-

Chemical Property:

• PSA: 29.26000
• LogP: 2.38040
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 182.178298710
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

(1S,2S)-2-(Piperidin-1-yl)cyclohexanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2CCCCC2N
• Isomeric SMILES: C1CCN(CC1)[C@H]2CCCC[C@@H]2N

Technology Process of Cyclohexanamine, 2-(1-piperidinyl)-, (1S,2S)-

There total 34 articles about Cyclohexanamine, 2-(1-piperidinyl)-, (1S,2S)- 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: 96.0%

benzyl (1S,2S)-N-[2-(piperidin-1-yl)cyclohexyl]carbamate (824938-85-4) → (1S, 2S)-trans-2-(1-piperidinyl)cyclohexylamine (824938-80-9,824938-98-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 12h;

DOI:10.1002/chem.200400607

Reference yield: 89.0%

(1R,2R)-1,2-diaminocyclohexane (20439-47-8) + Glutaraldehyde (111-30-8,29257-65-6,79215-57-9) → (1R,2R)-N1-piperidinyl-1,2-diaminocyclohexane (885677-91-8,824938-80-9,824938-98-9)

Guidance literature:

With sodium tris(acetoxy)borohydride; In water; 1,2-dichloro-ethane; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.200904779

Reference yield: 73.0%

prop-2-en-1-yl N-[(1R,2S)-2-(piperidin-1-yl)cyclohexyl]carbamate → (1R,2S)-2-(piperidin-1-yl)cyclohexanamine (824938-80-9,824938-98-9)

Guidance literature:

With 1,3-dimethylbarbituric acid; palladium diacetate; triphenylphosphine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1055/s-0036-1588852

upstream raw materials:

piperidine

trans-1,2-dinitrocyclohexane

trans-2-(pipoeridin-1-yl)cyclohexanol

cyclohexane-1,2-epoxide

Downstream raw materials:

(+/-)-N-(trans-2-piperidino-cyclohexyl)-benzamide