tert-Butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate

Name: tert-Butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 159991-07-8
Cat. No. CS-WAA0287
Purity≥95%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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tert-Butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate|CS-WAA0287

Structure of 159991-07-8

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General Information

CAS No. 159991-07-8
Cat. No. CS-WAA0287
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₂N₂O₂
Molecular Weight 226.32
Synonym(s) tert-butyl octahydropyrrolo[3.4-b]pyridine-1-carboxylate
SMILES O=C(N1CCC[C@]2([H])[C@@]1([H])CNC2)OC(C)(C)C

Synthesis

Route1
- 159991-06-7
- ~87%
- In-stock
  
  159991-07-8
References
- Institute of Medicinal Biotechnology, Chinese Acadamy of Medical Sciences; Zhe Jiang Medecine Co., Ltd. Xinchang Pharmaceutical Factory Patent: EP1767536 A1, 2007 ; Location in patent: Page/Page column 10 ;
Route2
- In-stock
  
  151213-39-7
- In-stock
  
  24424-99-5
- ~%
- In-stock
  
  159991-07-8
References
- ABBOTT LABORATORIES Patent: US2011/230459 A1, 2011 ;

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 41.57
LogP 1.6053
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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tert-Butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate

CAS No. 159991-07-8

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