tert-Butyl 4-hydroxy-[1,4'-bipiperidine]-1'-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-hydroxy-[1,4'-bipiperidine]-1'-carboxylate
• CAS No.: 367500-88-7
• Molecular Formula: C15H28N2O3
• Molecular Weight: 284.39442
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40431511
• Wikidata: Q72483384
• Mol file: 367500-88-7.mol

Synonyms:367500-88-7;tert-Butyl 4-hydroxy-[1,4'-bipiperidine]-1'-carboxylate;1'-Boc-[1,4']bipiperidinyl-4-ol;TERT-BUTYL 4-(4-HYDROXYPIPERIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE;MFCD12546285;1,1-dimethylethyl 4-hydroxy-1,4'-bipiperidine-1'-carboxylate;[1,4'-Bipiperidine]-1'-carboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester;SCHEMBL1085082;tert-butyl 4-hydroxy-1,4'-bipiperidine-1'-carboxylate;tert-Butyl4-hydroxy-[1,4'-bipiperidine]-1'-carboxylate;DTXSID40431511;NHZHORRSIJNTSZ-UHFFFAOYSA-N;4-hydroxy-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester;AKOS007930540;AB10815;SB43570;BS-25100;CS-0312152;FT-0720204;A25944;EN300-7395116;tert-Butyl 4-hydroxy[1,4'-bipiperidine]-1'-carboxylate;tert-Butyl 4-(4-hydroxypiperidin-1-yl)-1-piperidinecarboxylate;4-(hydroxy)-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester

Chemical Property of tert-Butyl 4-hydroxy-[1,4'-bipiperidine]-1'-carboxylate

Chemical Property:

• Boiling Point: 408.836oC at 760 mmHg
• Flash Point: 201.057oC
• PSA: 53.01000
• Density: 1.124
• LogP: 1.71840
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 284.20999276
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

99.0% MIN ^*data from raw suppliers

tert-Butyl 4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)O

Technology Process of tert-Butyl 4-hydroxy-[1,4'-bipiperidine]-1'-carboxylate

There total 1 articles about tert-Butyl 4-hydroxy-[1,4'-bipiperidine]-1'-carboxylate 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: 67.0%

4-HYDROXYPIPERIDINE (5382-16-1) + N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 4-hydroxy-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester (367500-88-7)

Guidance literature:

4-HYDROXYPIPERIDINE; N-tert-butyloxycarbonylpiperidin-4-one; With titanium(IV) isopropylate; In methanol; at 20 ℃; for 5h;

With methanol; sodium tetrahydroborate; for 2h;

Reference yield: 97.0%

4-hydroxy-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester (367500-88-7) → [1,4’-bipiperidin]-4-ol (550370-19-9)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃; for 4h;

Reference yield:

4-hydroxy-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester (367500-88-7) + methyl tert-butyl ether (MTBE) + 2-Methylpentane (107-83-5) + 3,4-dichlorofluorobenzene (1435-49-0) → 4-(3,4-Dichloro-phenoxy)-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester (367500-72-9)

Guidance literature:

With potassium tert-butylate; sodium hydrogencarbonate; In tetrahydrofuran; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

upstream raw materials:

4-HYDROXYPIPERIDINE

N-tert-butyloxycarbonylpiperidin-4-one

Downstream raw materials:

4-(3,4-Dichloro-phenoxy)-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester

[1,4’-bipiperidin]-4-ol

4-fluoro-1,4'-bipiperidine

C₂₄H₂₆Cl₂N₆O₂

Refernces

• 1、 Barton, Patrick,Brough, Steven,Evans, Richard,Luckhurst, Christopher A.,Mochel, Tobias,Perry, Matthew W. D.,Rigby, Aaron,Sanganee, Hitesh,Sisson, Adam,Springthorpe, Brian,Bahl, Ash,Bowers, Keith,Riley, Robert J.. "The discovery of CCR3/H1 dual antagonists with reduced hERG risk". . p. 6688 - 6693,6. Retrieved 2012/12/12.
• 2、 -. "Chemical compounds". . . Retrieved 2008/06/13.