(1R,2S,5S)-6,6-Dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

Name: (1R,2S,5S)-6,6-Dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 219754-02-6
Cat. No. CS-0060909
Purity≥97%
MDL No.MFCD15147269

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(1R,2S,5S)-6,6-Dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid|CS-0060909

Structure of 219754-02-6

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General Information

CAS No. 219754-02-6
Cat. No. CS-0060909
Purity ≥97%
MDL No. MFCD15147269
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₁NO₄
Molecular Weight 255.31
Synonym(s) (1R,2S,5S)-3-(Tert-butoxycarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILES CC(C)(OC(N1C[C@@]2([H])[C@@](C2(C)C)([H])[C@H]1C(O)=O)=O)C

Description

This bicyclic carbamate scaffold features a sterically hindered tert-butyl ester and a chiral framework with defined stereochemistry at the 1R,2S,5S positions. The dimethyl substitution enhances lipophilicity and metabolic stability, while the protected carboxylic acid enables modular derivatization under standard conditions. This structural motif serves as a rigid, conformationally constrained building block for peptidomimetic and medicinal chemistry applications.

Application

(1R,2S,5S)-6,6-Dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid serves as a rigid, conformationally constrained bicyclic scaffold with defined stereochemistry, enabling precise spatial presentation of functional groups in medicinal chemistry campaigns. The tert-butyl carbamate (Boc) group provides robust protection for the secondary amine, facilitating selective deprotection and downstream derivatization. Its bench-stable nature and compatibility with standard coupling protocols make it ideal for building complex heterocyclic motifs and peptidomimetics.

Synthesis

Route1
- In-stock
  
  569679-06-7
- ~84%
- In-stock
  
  219754-02-6
References
- Nair, Latha G.; Saksena, Anil; Lovey, Raymond; Sannigrahi, Mousumi; Wong, Jesse; Kong, Jianshe; Fu, Xiaoyong; Girijavallabhan, Viyyoor Journal of Organic Chemistry, 2010 , vol. 75, # 4 p. 1285 - 1288
Route2
- 1026427-11-1
- ~%
- In-stock
  
  219754-02-6
References
- Zhang, Rui; Madalengoitia, Jose S. Journal of Organic Chemistry, 1999 , vol. 64, # 2 p. 330 - 331
Route3
- 219753-99-8
- ~%
- In-stock
  
  219754-02-6
References
- Zhang, Rui; Madalengoitia, Jose S. Journal of Organic Chemistry, 1999 , vol. 64, # 2 p. 330 - 331

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 66.84
LogP 1.9625
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

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(1R,2S,5S)-6,6-Dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

CAS No. 219754-02-6

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