tert-Butyl 4-(3-chlorophenyl)-4-cyanopiperidine-1-carboxylate

Name: tert-Butyl 4-(3-chlorophenyl)-4-cyanopiperidine-1-carboxylate
Brand: ChemScene
Availability: OutOfStock
Rating: 5 (1 reviews)

CAS No. 553631-33-7
Cat. No. CS-0154756
Molecule weight320.81
Purity≥95%
MDL No.MFCD07779081

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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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*For research and further manufacturing use only, not for direct human use.

tert-Butyl 4-(3-chlorophenyl)-4-cyanopiperidine-1-carboxylate|CS-0154756

Structure of 553631-33-7

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General Information

CAS No. 553631-33-7
Cat. No. CS-0154756
Purity ≥95%
MDL No. MFCD07779081
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₂₁ClN₂O₂
Molecular Weight 320.81
Synonym(s) 2-Methyl-2-propanyl 4-(3-chlorophenyl)-4-cyano-1-piperidinecarboxylate
SMILES CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC(=CC=C2)Cl

Synthesis

Route1
- 118753-70-1
- ~79%
- 553631-33-7
References
- ARRAY BIOPHARMA INC.; MITCHELL, Ian S.; BLAKE, James F.; XU, Rui; KALLAN, Nicholas C.; XIAO, Dengming; SPENCER, Keith Lee; BENCSIK, Josef R. Patent: WO2008/6039 A1, 2008 ; Location in patent: Page/Page column 92 ; WO 2008/006039 A1
Route2
- In-stock
  
  1529-41-5
- 118753-70-1
- ~69%
- 553631-33-7
References
- GRUENENTHAL GmbH Patent: US2009/264407 A1, 2009 ; Location in patent: Page/Page column 68 ; US 20090264407 A1

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

TPSA 53.33
LogP 4.13228
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-Butyl 4-(3-chlorophenyl)-4-cyanopiperidine-1-carboxylate

CAS No. 553631-33-7

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General Information

Synthesis

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