4-(3-(4-(Piperidinyl)but-1-ynyl)benzyl)morpholine

Base Information

• Chemical Name: 4-(3-(4-(Piperidinyl)but-1-ynyl)benzyl)morpholine
• CAS No.: 544707-19-9
• Molecular Formula: C20H30Cl2N2O
• Molecular Weight: 312.45
• UNII: JD270971QC
• Nikkaji Number: J2.994.688D
• Wikidata: Q27281445
• Pharos Ligand ID: F6NLVMYR41S9
• ChEMBL ID: CHEMBL237087
• Mol file: 544707-19-9.mol

Synonyms:4-(3-(4-piperidin-1-ylbut-1-ynyl)benzyl)morpholine;JNJ 10181457;JNJ-10181457;JNJ10181457

Chemical Property of 4-(3-(4-(Piperidinyl)but-1-ynyl)benzyl)morpholine

Chemical Property:

• PSA: 15.71000
• LogP: 4.22610
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 312.220163521
• Heavy Atom Count: 23
• Complexity: 398

Purity/Quality:

97% ^*data from raw suppliers

JNJ10181457dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCC#CC2=CC=CC(=C2)CN3CCOCC3
• Uses: JNJ 10181457 is a selective non-imidazole histamine H3 receptor antagonist that normalizes acetylcholine neurotransmission. JNJ 10181457 Dihydrochloride is an inhibitor of the histamine H3 receptor.

Technology Process of 4-(3-(4-(Piperidinyl)but-1-ynyl)benzyl)morpholine

There total 3 articles about 4-(3-(4-(Piperidinyl)but-1-ynyl)benzyl)morpholine 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: 90.0%

morpholine (110-91-8,99108-56-2) + 3-(4-(piperidin-1-yl)but-1-ynyl)benzaldehyde (544707-14-4) → 4-[3-(4-piperidin-1-ylbut-1-ynyl)benzyl]morpholine (544707-19-9)

Guidance literature:

morpholine; 3-(4-(piperidin-1-yl)but-1-ynyl)benzaldehyde; With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 - 23 ℃; for 16h; Inert atmosphere;

With sodium hydroxide; In dichloromethane; at 20 - 23 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2009.04.049

Reference yield:

morpholine (110-91-8,99108-56-2) + aqueous potassium hydroxide + 3-(4-(piperidin-1-yl)but-1-ynyl)benzaldehyde (544707-14-4) → 4-[3-(4-piperidin-1-ylbut-1-ynyl)benzyl]morpholine (544707-19-9)

Guidance literature:

With sodium tris(acetoxy)borohydride;

Reference yield:

morpholine (110-91-8,99108-56-2) + NaHB(OAc)3 + 3-(4-(piperidin-1-yl)but-1-ynyl)benzaldehyde (544707-14-4) → 4-[3-(4-piperidin-1-ylbut-1-ynyl)benzyl]morpholine (544707-19-9)

Guidance literature:

With sodium hydroxide; In 1,1-dichloroethane; ethyl acetate;

upstream raw materials:

morpholine

3-(4-(piperidin-1-yl)but-1-ynyl)benzaldehyde

Refernces

• 1、 -. "Phenylalkynes". . . Retrieved 2008/06/13.