Methyl (R)-2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)butanoate

Name: Methyl (R)-2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)butanoate
Brand: ChemScene
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CAS No. 755039-53-3
Cat. No. CS-0563829
Molecule weight342.78
Purity≥98%
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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Methyl (R)-2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)butanoate|CS-0563829

Structure of 755039-53-3

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General Information

CAS No. 755039-53-3
Cat. No. CS-0563829
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₉ClN₄O₄
Molecular Weight 342.78
Synonym(s) (R)-Methyl 2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)butanoate
SMILES CC[C@H](C(=O)OC)N(C1CCCC1)C2=NC(=NC=C2[N+](=O)[O-])Cl

Synthesis

Route1
- 755039-52-2
- In-stock
  
  49845-33-2
- ~72%
- 755039-53-3
References
- SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD.; JIANGSU HENGRUI MEDICINE CO., LTD. Patent: US2012/184543 A1, 2012 ; Location in patent: Page/Page column 24 ;
Route2
- 74645-03-7
- ~%
- 755039-53-3
References
- ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; WO 2011/079114 A1

Safety Information

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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 98.46
LogP 2.7388
H_Acceptors 7
H_Donors 0
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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Methyl (R)-2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)butanoate

CAS No. 755039-53-3

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