3842-20-4

Basic information

• Product Name: 2-(1,3-dioxoisoindolin-2-yl)acetonitrile
• Synonyms: N-(Cyanomethyl)phthalimide;2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)acetonitrile;2-(1,3-diketoisoindolin-2-yl)acetonitrile;2-(1,3-dioxo-2-isoindolinyl)acetonitrile;2-(1,3-dioxoisoindol-2-yl)acetonitrile;2-(1,3-dioxoisoindol-2-yl)ethanenitrile;2-(1,3-dioxoisoindolin-2-yl)acetonitrile
• CAS NO: 3842-20-4
• Molecular Formula: C₁₀H₆N₂O₂
• Molecular Weight: 186.17
• Mol File: 3842-20-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 124-125 °C(Solv: acetic acid (64-19-7))
• Boiling Point: 361.4 °C at 760 mmHg
• Flash Point: 172.4 °C
• Appearance: /
• Density: 1.394 g/cm³
• Vapor Pressure: 2.08E-05mmHg at 25°C
• Refractive Index: 1.619
• PKA: -2.72±0.20(Predicted)
• CAS DataBase Reference: 2-(1,3-dioxoisoindolin-2-yl)acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1,3-dioxoisoindolin-2-yl)acetonitrile(3842-20-4)
• EPA Substance Registry System: 2-(1,3-dioxoisoindolin-2-yl)acetonitrile(3842-20-4)

Safety Data

• Hazardous Substances Data: 3842-20-4(Hazardous Substances Data)

Usage

General Description

2-(1,3-dioxoisoindolin-2-yl)acetonitrile is a chemical compound with the molecular formula C12H8N2O2. 2-(1,3-dioxoisoindolin-2-yl)acetonitrile belongs to the class of organic compounds known as isobenzofurans, which are aromatic compounds containing an isobenzofuran moiety. Its exact properties, such as boiling point, melting point, and density, can be determined through various experimental methods. 2-(1,3-dioxoisoindolin-2-yl)acetonitrile's exact applications or uses aren't specified in the literature, but it can be utilized in chemical reactions as a reagent or intermediate, like most other organic compounds.

InChI:InChI=1/C10H6N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,6H2

Upstream product

• 85-44-9 phthalic anhydride 
• 540-61-4 2-aminoacetonitrile 
• 6011-14-9 2-aminoacetonitrile hydrochloride 

Downstream Products

• 4702-13-0 N-phthaloylglycine 
• 172261-05-1 2-(1,3-dioxoisoindolin-2-yl)thioacetamide 
• 114841-44-0 2-((1H-tetrazol-5-yl)methyl)isoindoline-1,3-dione 
• 99185-69-0 N-cyanomethyl-phthalamide 
• 4935-96-0 2-phthalimidoacetamide 
• 3644-69-7 ethyl 2-(1,3-dioxoisoindolin-2-yl)acetimidate hydrochloride 
• 6974-10-3 phthalimidoacetic acid ethyl ester 
• 114841-44-0 2-[(2H-tetrazol-5-yl)methyl]isoindoline-1,3-dione 
• 1445-69-8 2,3-dihydrophthalazine-1,4-dione 
• 3566-61-8 2,2,3,3-tetramethylsuccinimide 
• 121900-47-8 phthalimido-bis(tetramethylcuccinimido)-acetonitrile 
• 1245918-59-5 (Z)-2-methyl-3-phenyl-4-phthalimidobut-2-enenitrile 
• 1245918-58-4 (E)-3-methyl-2-phenyl-4-phthalimidobut-2-enenitrile 
• 1245918-57-3 (Z)-3-methyl-2-phenyl-4-phthalimidobut-2-enenitrile 

Relevant articles and documents

2-(aminomethyl)thiazolyl-5-nitrile and synthesis method thereof

The invention belongs to the technical field of organic synthesis, and relates to 2-(aminomethyl)thiazolyl-5-nitrile and a synthesis method thereof. The method comprises the following steps: by takingaminoacetonitrile hydrochloride as a raw material, carrying out eight steps of reactions including substitution, amination, substitution, amination, Boc addition reaction, substitution, substitutionand Boc removal reaction to prepare the 2-(aminomethyl)thiazolyl-5-nitrile. An efficient synthesis method is provided for synthesis of the compound.

The synthesis and evaluation of flavone and isoflavone chimeras of novobiocin and derrubone

The natural products novobiocin and derrubone have both demonstrated Hsp90 inhibition and structure-activity relationships have been established for each scaffold. Given these compounds share several key structural features, we hypothesized that incorporation of elements from each could provide insight to structural features important for Hsp90 inhibition. Thus, chimeric analogues of novobiocin and derrubone were constructed and evaluated. These studies confirmed that the functionality present at the 3-position of the isoflavone plays a critical role in determining Hsp90 inhibition and suggests that the bicyclic ring system present in both novobiocin and derrubone do not share similar modes of binding.