2-Bromo-7-iodo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine

Name: 2-Bromo-7-iodo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 875781-45-6
Cat. No. CS-0036632
Purity≥97%
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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2-Bromo-7-iodo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine|CS-0036632

Structure of 875781-45-6

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General Information

CAS No. 875781-45-6
Cat. No. CS-0036632
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₉BrIN₃O₂S
Molecular Weight 478.10
Synonym(s) 2-Bromo-7-iodo-5-tosyl-5H-pyrrolo[2,3-B]pyrazine
SMILES CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=N3)Br)I

Synthesis

Route1
- In-stock
  
  875781-44-5
- 98-59-9
- ~92%
- In-stock
  
  875781-45-6
References
- UNIVERSITY OF ROCHESTER; BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA; GELBARD, Harris A.; DEWHURST, Stephen; GENDELMAN, Howard E. Patent: WO2014/85795 A1, 2014 ; Location in patent: Paragraph 0284 ;
Route2
- In-stock
  
  875781-43-4
- 98-59-9
- ~99%
- In-stock
  
  875781-45-6
References
- SGX PHARMACEUTICALS, INC. Patent: WO2006/15124 A2, 2006 ; Location in patent: Page/Page column 103 ; WO 2006/015124 A2
Route3
- In-stock
  
  875781-41-2
- ~%
- In-stock
  
  875781-45-6
References
- UNIVERSITY OF ROCHESTER; GELBARD, Harris, A.; DEWHURST, Stephen; GOODFELLOW, Val, S.; WIEMANN, Torsten; RAVULA, Satheesh, Babu; LOWETH, Colin, J. Patent: WO2011/149950 A2, 2011 ; WO 2011/149950 A2

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

TPSA 64.85
LogP 3.34382
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Sulfone

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-7-iodo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine

CAS No. 875781-45-6

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