Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate, also known as N-Boc-3-oxopiperazine-2-carboxylic acid, is a chemical compound with the molecular formula C15H19NO6. It is an ester derivative of 3-oxopiperazine-2-carboxylic acid, characterized by its unique structure and properties. tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate is widely recognized for its versatility in the synthesis of organic compounds and pharmaceuticals, making it a valuable building block in the development of novel drug molecules and organic compounds for various applications.

40367-35-9

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Basic information
1. Product Name: tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate
2. Synonyms:
3. CAS NO:40367-35-9
4. Molecular Formula: C₁₅H₁₅NO₅
5. Molecular Weight: 289.2833
6. EINECS: N/A
7. Product Categories: N/A
8. Mol File: 40367-35-9.mol
Chemical Properties
1. Melting Point: N/A
2. Boiling Point: 406.7°C at 760 mmHg
3. Flash Point: 199.8°C
4. Appearance: N/A
5. Density: 1.305g/cm³
6. Vapor Pressure: 7.98E-07mmHg at 25°C
7. Refractive Index: 1.563
8. Storage Temp.: N/A
9. Solubility: N/A
10. CAS DataBase Reference: tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate(CAS DataBase Reference)
11. NIST Chemistry Reference: tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate(40367-35-9)
12. EPA Substance Registry System: tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate(40367-35-9)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 40367-35-9(Hazardous Substances Data)

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40367-35-9 Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate is used as a key building block for the synthesis of various drugs. Its unique structure allows for the creation of complex molecular architectures, enabling the development of innovative pharmaceuticals with improved efficacy and selectivity.
Used in Organic Chemistry:
In the field of organic chemistry, tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate serves as a versatile reagent in a wide range of chemical reactions. Its ability to participate in various types of reactions, such as esterification, amidation, and condensation, makes it a valuable tool for the synthesis of complex organic compounds.
Used in Drug Discovery and Development:
Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate is employed as a starting material in the design and synthesis of new drug candidates. Its unique chemical properties and reactivity enable the exploration of novel chemical space, leading to the discovery of potential therapeutic agents with improved pharmacological profiles.
Used in Medicinal Chemistry Research:
In medicinal chemistry research, tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate is utilized as a probe to investigate the structure-activity relationships of various drug targets. Its incorporation into different molecular frameworks allows researchers to gain insights into the molecular interactions between drug candidates and their biological targets, guiding the optimization of drug properties.
Used in Chemical Synthesis Education:
Tert-butyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxopropanoate is also used as an educational tool in teaching chemical synthesis techniques and strategies. Its reactivity and compatibility with various synthetic methods provide students with hands-on experience in the synthesis of complex organic compounds, fostering a deeper understanding of chemical principles and techniques.

Check Digit Verification of cas no

The CAS Registry Mumber 40367-35-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,3,6 and 7 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 40367-35:
(7*4)+(6*0)+(5*3)+(4*6)+(3*7)+(2*3)+(1*5)=99
99 % 10 = 9
So 40367-35-9 is a valid CAS Registry Number.

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