2,3,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5(1H)-one

Base Information

• Chemical Name: 2,3,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5(1H)-one
• CAS No.: 87166-93-6
• Molecular Formula: C12H13NO
• Molecular Weight: 187.23800
• DSSTox Substance ID: DTXSID30576420
• Nikkaji Number: J548.832J
• Mol file: 87166-93-6.mol

Synonyms:87166-93-6;2,3,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5(1H)-one;DTXSID30576420

Chemical Property of 2,3,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5(1H)-one

Chemical Property:

• PSA: 20.31000
• LogP: 1.78520
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.099714038
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC3=CC=CC=C3C(=O)N2C1

Technology Process of 2,3,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5(1H)-one

There total 6 articles about 2,3,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5(1H)-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: 88.0%

2-(3-bromo-propyl)-2H-isoquinolin-1-one (690256-02-1) → 2,3,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5(1H)-one (87166-93-6) + 2-propylisoquinolin-1(2H)-one (83696-69-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 6h; Heating;

DOI:10.1016/j.tetlet.2004.01.123

Reference yield: 46.0%

N-Pent-4-enyl-benzimidic acid 2-thioxo-2H-pyridin-1-yl ester (134612-93-4) → N-(pent-4-en-1yl)benzamide (91639-72-4) + 2,3,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5(1H)-one (87166-93-6)

Guidance literature:

With 2-methylpropan-2-thiol; In benzene; Irradiation;

DOI:10.1016/S0040-4039(00)74480-7

Reference yield: 46.0%

1-<(N-(4'-Pentenyl)benzimidoyl)oxy>-2(1H)-pyridinethione → N-(pent-4-en-1yl)benzamide (91639-72-4) + 2,3,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-5(1H)-one (87166-93-6)

Guidance literature:

In benzene; for 6h; Irradiation;

DOI:10.1021/jo00070a033

upstream raw materials:

diphenyl diselenide

N-Pent-4-enyl-benzimidic acid 2-thioxo-2H-pyridin-1-yl ester

2-(3-bromo-propyl)-2H-isoquinolin-1-one

5-azido-2-benzylpentanoic acid