Tert-butyl 4-((4-bromophenyl)thio)piperidine-1-carboxylate

Name: Tert-butyl 4-((4-bromophenyl)thio)piperidine-1-carboxylate
Brand: ChemScene
Availability: OutOfStock
Rating: 5 (1 reviews)

CAS No. 188527-03-9
Cat. No. CS-0336677
Purity95+%
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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*For research and further manufacturing use only, not for direct human use.

Tert-butyl 4-((4-bromophenyl)thio)piperidine-1-carboxylate|CS-0336677

Structure of 188527-03-9

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General Information

CAS No. 188527-03-9
Cat. No. CS-0336677
Purity 95+%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₂BrNO₂S
Molecular Weight 372.32
Synonym(s) None
SMILES CC(C)(C)OC(=O)N1CCC(CC1)SC2=CC=C(C=C2)Br

Synthesis

Route1
- In-stock
  
  106-53-6
- 141699-59-4
- ~96%
- 188527-03-9
References
- Fletcher, Stephen R.; Burkamp, Frank; Blurton, Peter; Cheng, Susan K. F.; Clarkson, Robert; O'Connor, Desmond; Spinks, Daniel; Tudge, Matthew; Van Niel, Monique B.; Patel, Smita; Chapman, Kerry; Marwood, Rose; Shepheard, Sara; Bentley, Graham; Cook, Gina P.; Bristow, Linda J.; Castro, Jose L.; Hutson, Peter H.; MacLeod, Angus M. Journal of Medicinal Chemistry, 2002 , vol. 45, # 2 p. 492 - 503
Route2
- In-stock
  
  106-53-6
- 109384-19-2
- ~%
- 188527-03-9
References
- GENENTECH, INC.; FORMA TM, LLC; BAIR, Kenneth W.; BAUMEISTER, Timm R.; BUCKMELTER, Alexandre J.; CLODFELTER, Karl H.; DRAGOVICH, Peter; GOSSELIN, Francis; GUNZNER-TOSTE, Janet; HAN, Bingsong; LIN, Jian; LIU, Xiongcai; REYNOLDS, Dominic J.; SMITH, Chase C.; WANG, Zhongguo; ZAK, Mark; ZHANG, Yamin; ZHAO, Guiling; ZHENG, Xiaozhang; YUEN, Po-Wai Patent: WO2013/127266 A1, 2013 ; Location in patent: Page/Page column 152; 153; 165; 166 ;
Route3
- 5382-16-1
- ~%
- 188527-03-9
References
- GENENTECH, INC.; FORMA TM, LLC; BAIR, Kenneth W.; BAUMEISTER, Timm R.; BUCKMELTER, Alexandre J.; CLODFELTER, Karl H.; DRAGOVICH, Peter; GOSSELIN, Francis; GUNZNER-TOSTE, Janet; HAN, Bingsong; LIN, Jian; LIU, Xiongcai; REYNOLDS, Dominic J.; SMITH, Chase C.; WANG, Zhongguo; ZAK, Mark; ZHANG, Yamin; ZHAO, Guiling; ZHENG, Xiaozhang; YUEN, Po-Wai Patent: WO2013/127266 A1, 2013 ;

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 29.54
LogP 4.9407
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Functional Group Bromide

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-((4-bromophenyl)thio)piperidine-1-carboxylate

CAS No. 188527-03-9

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