2-(1,3-dioxoisoindolin-2-yl)acetonitrile

Base Information

• Chemical Name: 2-(1,3-dioxoisoindolin-2-yl)acetonitrile
• CAS No.: 3842-20-4
• Molecular Formula: C10H6N2O2
• Molecular Weight: 186.17
• Hs Code.: 2926909090
• Mol file: 3842-20-4.mol

Synonyms:2-Isoindolineacetonitrile,1,3-dioxo- (6CI,7CI);Phthalimide, N-(cyanomethyl)- (8CI);(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile;(1,3-Dioxo-1,3-dihydroisoindol-2-yl)acetonitrile;NSC 403772;Phthalimidoacetonitrile;

Chemical Property of 2-(1,3-dioxoisoindolin-2-yl)acetonitrile

Chemical Property:

• Vapor Pressure: 2.08E-05mmHg at 25°C
• Melting Point: 124-125 °C(Solv: acetic acid (64-19-7))
• Refractive Index: 1.619
• Boiling Point: 361.4 °C at 760 mmHg
• PKA: -2.72±0.20(Predicted)
• Flash Point: 172.4 °C
• PSA: 61.17000
• Density: 1.394 g/cm³
• LogP: 0.74408

Purity/Quality:

97% ^*data from raw suppliers

2-(1,3-Dioxoisoindolin-2-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(1,3-dioxoisoindolin-2-yl)acetonitrile

There total 2 articles about 2-(1,3-dioxoisoindolin-2-yl)acetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

phthalic anhydride (85-44-9) + 2-aminoacetonitrile hydrochloride (6011-14-9) → N-(cyanomethyl)phthalimide (3842-20-4)

Guidance literature:

With triethylamine; In chloroform; for 6h; Heating;

DOI:10.1016/S0968-0896(02)00557-6

Reference yield:

phthalic anhydride (85-44-9) + 2-aminoacetonitrile (540-61-4) → N-(cyanomethyl)phthalimide (3842-20-4)

Guidance literature:

With triethylamine; In chloroform; at 60 ℃; for 6h;

DOI:10.1039/c4ra10879e

Reference yield: 91.0%

N-(cyanomethyl)phthalimide (3842-20-4) → 2-((1H-tetrazol-5-yl)methyl)isoindoline-1,3-dione (114841-44-0)

Guidance literature:

With sodium azide; In water; isopropyl alcohol; for 4h; Reflux;

DOI:10.1002/jhet.2591

upstream raw materials:

phthalic anhydride

2-aminoacetonitrile hydrochloride

2-aminoacetonitrile

Downstream raw materials:

N-phthaloylglycine

2-(1,3-dioxoisoindolin-2-yl)thioacetamide

2-((1H-tetrazol-5-yl)methyl)isoindoline-1,3-dione

N-cyanomethyl-phthalamide