5-Bromo-4-chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine

Name: 5-Bromo-4-chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine
Brand: ChemScene
Availability: OutOfStock
Rating: 5 (1 reviews)

CAS No. 252723-17-4
Cat. No. CS-W022325
Purity≥95%
MDL No.MFCD11501900

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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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5-Bromo-4-chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine|CS-W022325

Structure of 252723-17-4

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General Information

CAS No. 252723-17-4
Cat. No. CS-W022325
Purity ≥95%
MDL No. MFCD11501900
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₇BrClN₃O₂S
Molecular Weight 372.63
Synonym(s) 7-Benzenesulfonyl-5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
SMILES ClC1=C2C(N(S(=O)(C3=CC=CC=C3)=O)C=C2Br)=NC=N1

Synthesis

Route1
- In-stock
  
  22276-95-5
- 98-09-9
- ~99%
- 252723-17-4
References
- Blake, James F.; Kallan, Nicholas C.; Xiao, Dengming; Xu, Rui; Bencsik, Josef R.; Skelton, Nicholas J.; Spencer, Keith L.; Mitchell, Ian S.; Woessner, Richard D.; Gloor, Susan L.; Risom, Tyler; Gross, Stefan D.; Martinson, Matthew; Morales, Tony H.; Vigers, Guy P.A.; Brandhuber, Barbara J. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 19 p. 5607 - 5612
Route2
- 3680-69-1
- ~%
- 252723-17-4
References
- CONVERGENCE PHARMACEUTICALS LIMITED; WITTY, David R.; NORTON, David; TIERNEY, Jason Paul; LORTHIOIR, Ghislaine; SIME, Mairi; PHILPOTT, Karen Louise Patent: WO2012/80735 A1, 2012 ; WO 2012/080735 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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 64.85
LogP 3.0842
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Bromo-4-chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine

CAS No. 252723-17-4

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General Information

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