2-(3-Methyl-2-oxobutyl)isoindoline-1,3-dione

Name: 2-(3-Methyl-2-oxobutyl)isoindoline-1,3-dione
Brand: ChemScene
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CAS No. 17687-64-8
Cat. No. CS-0512538
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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2-(3-Methyl-2-oxobutyl)isoindoline-1,3-dione|CS-0512538

Structure of 17687-64-8

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General Information

CAS No. 17687-64-8
Cat. No. CS-0512538
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₃NO₃
Molecular Weight 231.25
Synonym(s) 2-(3-Methyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione
SMILES O=C1N(CC(C(C)C)=O)C(C2=C1C=CC=C2)=O

Synthesis

Route1
- 563-80-4
- 1074-82-4
- ~%
- 17687-64-8
References
- FUJIFILM Corporation; ARAYAMA, Kyohei; IDEI, Hiroaki; KANNA, Shinichi; USHIJIMA, Kenta; GOTO, Akiyoshi Patent: WO2012/11391 A1, 2012 ; Location in patent: Page/Page column 173-174 ;
Route2
- 1074-82-4
- 19967-55-6
- ~%
- 17687-64-8
References
- FUJIFILM Corporation; ITO, Junichi; YOSHIKAWA, Masaru; MIZUKAWA, Yuki; USHIJIMA, Kenta; KANNA, Shinichi; INABE, Haruki; FUJIE, Yoshihiko; GOTO, Akiyoshi; KANEKO, Yushi; IDEI, Hiroaki Patent: WO2011/40628 A1, 2011 ; Location in patent: Page/Page column 302 ;
Route3
- 563-80-4
- ~%
- 17687-64-8
References
- FUJIFILM Corporation; ITO, Junichi; YOSHIKAWA, Masaru; MIZUKAWA, Yuki; USHIJIMA, Kenta; KANNA, Shinichi; INABE, Haruki; FUJIE, Yoshihiko; GOTO, Akiyoshi; KANEKO, Yushi; IDEI, Hiroaki Patent: WO2011/40628 A1, 2011 ;

Safety Information

Download SDS

GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 54.45
LogP 1.5077
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

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2-(3-Methyl-2-oxobutyl)isoindoline-1,3-dione

CAS No. 17687-64-8

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