Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate

Name: Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate
Brand: ChemScene
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CAS No. 154477-55-1
Cat. No. CS-0154635
Purity≥98%
MDL No.MFCD08063765

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Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate|CS-0154635

Structure of 154477-55-1

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General Information

CAS No. 154477-55-1
Cat. No. CS-0154635
Purity ≥98%
MDL No. MFCD08063765
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₃H₃₉NO₄
Molecular Weight 513.67
Synonym(s) methyl 2-[4-(4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butanoyl)phenyl]-2-methylpropanoate
SMILES CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC

Description

Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate features a sterically hindered ester core paired with a diphenylmethyl-piperidine pharmacophore, enabling robust integration into complex molecular architectures. This bench-stable compound facilitates efficient access to bioactive scaffolds under standard conditions.

Application

Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate serves as a versatile synthetic intermediate for constructing complex heterocyclic scaffolds and bioactive molecule cores. The piperidine moiety enables functionalization at multiple sites, while the ester and benzylic hydroxyl groups offer orthogonal reactivity for downstream modifications. Bench-stable and amenable to standard purification protocols, it facilitates efficient access to pharmaceutically relevant architectures through established coupling and cyclization workflows.

Synthesis

Route1
- 154825-95-3
- ~92%
- In-stock
  
  154477-55-1
References
- DIPHARMA FRANCIS S.r.I. Patent: US2010/228034 A1, 2010 ; Location in patent: Page/Page column 3 ;
Route2
- 43076-33-1
- 31469-15-5
- ~60%
- In-stock
  
  154477-55-1
References
- AMR Technology, Inc. Patent: US2006/63808 A1, 2006 ; Location in patent: Page/Page column 8; 10; 14 ;
Route3
- In-stock
  
  115-46-8
- 154477-54-0
- ~%
- In-stock
  
  154477-55-1
References
- WO2005/19175 A1, ; Page/Page column 26 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 66.84
LogP 5.7482
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 10

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate

CAS No. 154477-55-1

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