7-Aminoisoindolin-1-one

Base Information

• Chemical Name: 7-Aminoisoindolin-1-one
• CAS No.: 169044-98-8
• Molecular Formula: C8H8 N2 O
• Molecular Weight: 148.164
• Hs Code.: 2933790090
• European Community (EC) Number: 840-669-3
• DSSTox Substance ID: DTXSID30585552
• Wikidata: Q82477531
• Mol file: 169044-98-8.mol

Synonyms:7-aminoisoindolin-1-one;169044-98-8;7-AMINO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE;7-AMINO-2,3-DIHYDROISOINDOL-1-ONE;7-AMINOISOINDOLINONE;1H-ISOINDOL-1-ONE, 7-AMINO-2,3-DIHYDRO-;MFCD09396704;1H-Isoindol-1-one,7-amino-2,3-dihydro-(9CI);7-Amino-1-isoindolinone;SCHEMBL1585047;DTXSID30585552;ZPJBSWJZELXZKA-UHFFFAOYSA-N;AMY36321;AKOS006223241;PB34384;NCGC00323483-01;BS-13416;SY097111;CS-0050115;EN300-27804;P10726;AB01318792-02;A882122;Z234893819

Chemical Property of 7-Aminoisoindolin-1-one

Chemical Property:

• Boiling Point: 493.5±45.0 °C(Predicted)
• PKA: 14.00±0.20(Predicted)
• PSA: 58.61000
• Density: 1.307±0.06 g/cm3(Predicted)
• LogP: 1.10380
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

7-Aminoisoindolin-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC=C2)N)C(=O)N1

Technology Process of 7-Aminoisoindolin-1-one

There total 1 articles about 7-Aminoisoindolin-1-one 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: 92.0%

7-nitro-2,3-dihydro-isoindol-1-one (169044-97-7) → 7-amino-2,3-dihydro-1H-isoindol-1-one (169044-98-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; at 25 ℃; for 20h; under 3000.3 Torr;

Reference yield: 35.0%

7-amino-2,3-dihydro-1H-isoindol-1-one (169044-98-8) + 2,4-dichloro-7-p-methylbenzenesulfonyl-7H-pyrrole[2,3-d]pyrimidin-4-amine (934524-10-4) → 7-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-2,3-dihydro-1H-isoindol-1-one (1086610-84-5)

Guidance literature:

With trifluoroacetic acid; In 2,2,2-trifluoroethanol; at 80 ℃; for 24h;

DOI:10.1021/jo8020693

Reference yield: 33.0%

2-(2-methoxy-4-propylcarbamoyl-phenylamino)-4-chloro-5-trifluoromethyl-pyrimidine (869936-77-6) + 7-amino-2,3-dihydro-1H-isoindol-1-one (169044-98-8) → 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(3-oxo-2,3-dihydro-1H-isoindol-4-ylamino)-5-trifluoromethyl-pyrimidine

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; ISOPROPYLAMIDE; at 50 ℃; for 48h;

upstream raw materials:

7-nitro-2,3-dihydro-isoindol-1-one

Downstream raw materials:

7-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-2,3-dihydro-1H-isoindol-1-one

7-amino-2-(3-(trifluoromethyl)phenyl)isoindolin-1-one

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