4-Isobutylpyrrolidin-2-one Pregabalin Impurity

Name: 4-Isobutylpyrrolidin-2-one Pregabalin Impurity
Brand: ChemScene
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CAS No. 61312-87-6
Cat. No. CS-0229657
Molecule weight141.21
Purity≥97%
MDL No.MFCD09864501

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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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4-Isobutylpyrrolidin-2-one Pregabalin Impurity|CS-0229657

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(S)-1-((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-4-isobutylpyrrolidin-2-one Pregabalin Impurity

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General Information
Synthesis
Safety Information
Quality Control
Computational Chemistry Data

General Information

CAS No. 61312-87-6
Cat. No. CS-0229657
Purity ≥97%
MDL No. MFCD09864501
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₅NO
Molecular Weight 141.21
Synonym(s) 4-Isobutyl-2-pyrrolidinone (pregabalin lactam impurity)
SMILES O=C1NCC(C1)CC(C)C

Synthesis

Route1
- 1144854-29-4
- ~%
- 61312-87-6
References
- WO2009/53446 A2, ; Page/Page column 27 ;
Route2
- 128013-65-0
- ~97%
- 61312-87-6
References
- SUNSHINE LAKE PHARMA CO., LTD.; HE, Fang; ZHANG, Yaobin; KOU, Jingping Patent: WO2014/5494 A1, 2014 ; Location in patent: Paragraph 0028 ;
Route3
- 769961-84-4
- ~94%
- 61312-87-6
References
- Chen, Zhenliang; Chen, Zhiyong; Jiang, Yaozhong; Hu, Wenhao Synlett, 2004 , # 10 p. 1763 - 1764

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 29.1
LogP 1.1686
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

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4-Isobutylpyrrolidin-2-one Pregabalin Impurity

CAS No. 61312-87-6

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