2-(Piperidin-1-yl)pyrimidine

Base Information

• Chemical Name: 2-(Piperidin-1-yl)pyrimidine
• CAS No.: 51957-36-9
• Molecular Formula: C9H13N3
• Molecular Weight: 163.22000
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL3741971
• DSSTox Substance ID: DTXSID80466064
• Nikkaji Number: J1.674.538C
• Wikidata: Q82292455
• Mol file: 51957-36-9.mol

Synonyms:2-(Piperidin-1-yl)pyrimidine;51957-36-9;2-PIPERIDIN-1-YLPYRIMIDINE;2-N-Piperidinopyrimidine;piperidinopyrimidine;1-(2-pyrimidinyl)piperadine;SCHEMBL139049;CHEMBL3741971;DTXSID80466064;IAGROJPXACRRDT-UHFFFAOYSA-N;AKOS006242564;Z31192692

Chemical Property of 2-(Piperidin-1-yl)pyrimidine

Chemical Property:

• PSA: 29.02000
• LogP: 1.53190
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.110947427
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

98%Min ^*data from raw suppliers

2-(PIPERIDIN-1-YL)PYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=NC=CC=N2

Technology Process of 2-(Piperidin-1-yl)pyrimidine

There total 8 articles about 2-(Piperidin-1-yl)pyrimidine 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%

piperidine (110-89-4) + 2-chloropyrimidine (1722-12-9,1195939-87-7) → 2-(piperidin-1-yl)pyrimidine (51957-36-9)

Guidance literature:

at 25 ℃;

DOI:10.1016/S0040-4020(01)01182-6

Reference yield: 96.0%

piperidine (110-89-4) + 2-bromopyrimidine (4595-60-2) → 2-(piperidin-1-yl)pyrimidine (51957-36-9)

Guidance literature:

at 25 ℃;

DOI:10.1016/S0040-4020(01)01182-6

Reference yield: 92.0%

piperidine (110-89-4) + 2-cyanopyrimidine (14080-23-0) → 2-(piperidin-1-yl)pyrimidine (51957-36-9)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 6h;

DOI:10.1002/ejoc.201901364

upstream raw materials:

piperidine

2-chloropyrimidine

ethanol

2-bromopyrimidine

Refernces

• 1、 Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul. "Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates". supporting information. p. 5022 - 5037. Retrieved 2021/05/04.
• 2、 Yuan, Chunling,Zhang, Lei,Zhao, Yingdai. "Cu(II)-catalyzed C-N coupling of (hetero)aryl halides and N-Nucleophiles promoted by α-benzoin oxime". . . Retrieved 2019/11/28.