tert-Butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Name: tert-Butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 149771-43-7
Cat. No. CS-0154777
Molecule weightNone
Purity≥97%
MDL No.MFCD24465640

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate|CS-0154777

Structure of 149771-43-7

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General Information

CAS No. 149771-43-7
Cat. No. CS-0154777
Purity ≥97%
MDL No. MFCD24465640
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₂₆N₂O₂
Molecular Weight None
Synonym(s) 3-Benzyl-8-Boc-3,8-diaza-bicyclo[3.2.1]octane
SMILES CC(C)(C)OC(=O)N1C2CCC1CN(CC3=CC=CC=C3)C2

Synthesis

Route1
- In-stock
  
  24424-99-5
- 67571-90-8
- ~92%
- In-stock
  
  149771-43-7
References
- Barlocco, Daniela; Cignarella, Giorgio; Tondi, Donatella; Vianello, Paola; Villa, Stefania; Bartolini, Alessandro; Ghelardini, Carla; Galeotti, Nicoletta; Anderson, David J.; Kuntzweiler, Theresa A.; Colombo, Diego; Toma, Lucio Journal of Medicinal Chemistry, 1998 , vol. 41, # 5 p. 674 - 681
Route2
- In-stock
  
  24424-99-5
- In-stock
  
  144-55-8
- 67571-90-8
- ~65%
- In-stock
  
  149771-43-7
References
- Pfizer Inc. Patent: US2002/128271 A1, 2002 ;
Route3
- In-stock
  
  54221-37-3
- ~%
- In-stock
  
  149771-43-7
References
- Huang, Long Jiang; Teng, Da Wei Chinese Chemical Letters, 2011 , vol. 22, # 5 p. 523 - 526

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 32.78
LogP 3.2703
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

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tert-Butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

CAS No. 149771-43-7

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