Di-tert-butyl 4-amino-4-(3-(tert-butoxy)-3-oxopropyl)heptanedioate

Name: Di-tert-butyl 4-amino-4-(3-(tert-butoxy)-3-oxopropyl)heptanedioate
Brand: ChemScene
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CAS No. 136586-99-7
Cat. No. CS-0188104
Purity≥97%
MDL No.None

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Di-tert-butyl 4-amino-4-(3-(tert-butoxy)-3-oxopropyl)heptanedioate|CS-0188104

Structure of 136586-99-7

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General Information

CAS No. 136586-99-7
Cat. No. CS-0188104
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₂H₄₁NO₆
Molecular Weight 415.56
Synonym(s) Aminotriester
SMILES O=C(OC(C)(C)C)CCC(N)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C

Description

Di-tert-butyl 4-amino-4-(3-(tert-butoxy)-3-oxopropyl)heptanedioate features a sterically shielded diester backbone paired with a pendant amino group and a masked ketone functionality. This bifunctional scaffold enables modular access to complex heterocycles and peptidomimetics under mild conditions. The tert-butoxy carbonyl moiety offers enhanced stability and controlled release in synthetic sequences.

Application

Di-tert-butyl 4-amino-4-(3-(tert-butoxy)-3-oxopropyl)heptanedioate serves as a versatile bis-protected diamine building block for the synthesis of complex heterocycles and peptide-like scaffolds. The pendant ketone and ester functionalities enable sequential transformations, including reductive amination and cyclization reactions. Its tert-butyl groups provide excellent bench stability and facilitate straightforward purification. Functions effectively in multistep syntheses requiring orthogonal protection and mild deprotection conditions.

Synthesis

Route1
- 136587-00-3
- ~99%
- In-stock
  
  136586-99-7
References
- King's College London; Ballinger, James Russell; Berry, David; Blower, Philip John; Ma, Yongmin; Mullen, Gregory Edgar David Patent: US2014/56810 A1, 2014 ; Location in patent: Paragraph 0130 ;
Route2
- 1663-39-4
- ~%
- In-stock
  
  136586-99-7
References
- Cruz-Morales, Jorge A.; Guadarrama, Patricia Journal of Molecular Structure, 2005 , vol. 779, # 1-3 p. 1 - 10

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 104.92
LogP 4.0496
H_Acceptors 7
H_Donors 1
Rotatable_Bonds 9

Other Classifications

Building Blocks Functional Group Boc

Building Blocks Functional Group Amine

Material Science Polymer Materials Macromolecular Monomer

Key Words

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Di-tert-butyl 4-amino-4-(3-(tert-butoxy)-3-oxopropyl)heptanedioate

CAS No. 136586-99-7

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