Isoindolin-2-amine

Base Information

• Chemical Name: Isoindolin-2-amine
• CAS No.: 21507-95-9
• Molecular Formula: C8H10 N2
• Molecular Weight: 134.181
• DSSTox Substance ID: DTXSID90508484
• Wikidata: Q82365441
• Mol file: 21507-95-9.mol

Synonyms:ISOINDOLIN-2-AMINE;21507-95-9;1,3-DIHYDROISOINDOL-2-AMINE;1,3-DIHYDRO-2H-ISOINDOL-2-AMINE;2,3-DIHYDRO-1H-ISOINDOL-2-AMINE;1,3-DIHYDRO-ISOINDOL-2-YLAMINE;2-amino-isoindoline;2H-Isoindol-2-amine, 1,3-dihydro-;2-aminoisoindoline;N-amino-dihydroisoindole;1, 3-dihydroisoindol-2-amine;SCHEMBL6261159;DTXSID90508484;NKWOXRUJRCMCBH-UHFFFAOYSA-N;2,3-dihydro-1H-isoindol-2-yl-amine;AKOS003583439;MB09229;A857853

Chemical Property of Isoindolin-2-amine

Chemical Property:

• PSA: 29.26000
• LogP: 1.51410
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.084398327
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

Isoindolin-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2CN1N

Technology Process of Isoindolin-2-amine

There total 6 articles about Isoindolin-2-amine 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:

α,α'-dibromo-o-xylene (91-13-4) → 2-amino-isoindoline (21507-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: dioxane

2: sodium; liquid ammonia / anschliessendes Behandeln mit wss. Salzsaeure

With 1,4-dioxane; ammonia; sodium;

Reference yield:

N-(t-butyloxycarbonyl)aminodihydroisoindole (131762-67-9) → 2-amino-isoindoline (21507-95-9)

Guidance literature:

With hydrogenchloride;

Reference yield:

→ 2-amino-isoindoline (21507-95-9)

Guidance literature:

With acetic acid; zinc;

upstream raw materials:

N-nitroso-1,3-dihydroisoindol

N-(t-butyloxycarbonyl)aminodihydroisoindole

α,α'-dibromo-o-xylene

Downstream raw materials:

2,2'-bis(bromomethyl)bibenzyl

2-(3,4,5,6-tetrahydro-2-pyridinamino)-isoindoline

5,12-naphthacenequinone

2-chloro-N-(2-isoindolinyl)-5-nitrobenzamide