2,3-Dihydro-2-oxo-1-(phenylmethyl)-1H-indole-3-acetonitrile

Base Information

Chemical Name:2,3-Dihydro-2-oxo-1-(phenylmethyl)-1H-indole-3-acetonitrile
CAS No.:60857-68-3
Molecular Formula:C₁₇H₁₄N₂O
Molecular Weight:262.311
Hs Code.:
DSSTox Substance ID:DTXSID401188817

Synonyms:2,3-Dihydro-2-oxo-1-(phenylmethyl)-1H-indole-3-acetonitrile;DTXSID401188817;60857-68-3

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2,3-Dihydro-2-oxo-1-(phenylmethyl)-1H-indole-3-acetonitrile

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:262.110613074
Heavy Atom Count:20
Complexity:405

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)CC#N

Technology Process of 2,3-Dihydro-2-oxo-1-(phenylmethyl)-1H-indole-3-acetonitrile

There total 5 articles about 2,3-Dihydro-2-oxo-1-(phenylmethyl)-1H-indole-3-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: 58.0%

: 59414-85-6
2-(1-benzyl-1H-indol-3-yl)acetonitrile

: 60857-68-3
(1-benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile

Guidance literature:: With hydrogenchloride; dimethyl sulfoxide; In water; at 20 ℃; for 24h;
DOI:10.1021/jm800277g

Reference yield:

: 771-51-7
indole-3-acetonitrile

: 60857-68-3
(1-benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 - 20 °C

1.2: 3 h / 20 °C

2.1: hydrogenchloride; acetic acid; water; dimethyl sulfoxide / 2 h / 20 °C

With hydrogenchloride; water; sodium hydride; acetic acid; dimethyl sulfoxide; In N,N-dimethyl-formamide;
DOI:10.2174/1386207318666150629114908

Reference yield:

: 100-44-7
benzyl chloride

: 60857-68-3
(1-benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / Cooling with ice

1.2: 3 h / 20 °C

2.1: acetic acid; hydrogenchloride; dimethyl sulfoxide / water / 2 h / 20 °C

With hydrogenchloride; sodium hydride; acetic acid; dimethyl sulfoxide; In water; N,N-dimethyl-formamide;