1H-Indole-3-acetonitrile, 2,3-dihydro-3-methyl-2-oxo-1-(phenylmethyl)-

Base Information

Chemical Name:1H-Indole-3-acetonitrile, 2,3-dihydro-3-methyl-2-oxo-1-(phenylmethyl)-
CAS No.:34944-03-1
Molecular Formula:C18H16N2O
Molecular Weight:276.338
Hs Code.:
DSSTox Substance ID:DTXSID20451419
Nikkaji Number:J2.338.382I
Mol file:34944-03-1.mol

Synonyms:34944-03-1;1H-Indole-3-acetonitrile, 2,3-dihydro-3-methyl-2-oxo-1-(phenylmethyl)-;DTXSID20451419;1-Benzyl-2-oxo-3-methylindoline-3-acetonitrile

Suppliers and Price of 1H-Indole-3-acetonitrile, 2,3-dihydro-3-methyl-2-oxo-1-(phenylmethyl)-

Supply Marketing:

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

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Chemical Property of 1H-Indole-3-acetonitrile, 2,3-dihydro-3-methyl-2-oxo-1-(phenylmethyl)-

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:276.126263138
Heavy Atom Count:21
Complexity:445

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)CC#N

Technology Process of 1H-Indole-3-acetonitrile, 2,3-dihydro-3-methyl-2-oxo-1-(phenylmethyl)-

There total 7 articles about 1H-Indole-3-acetonitrile, 2,3-dihydro-3-methyl-2-oxo-1-(phenylmethyl)- 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: 99.0%

: 55305-43-6
N-cyano-N-phenyl-p-toluenesulfonamide

: 74480-63-0
N-benzyl-2-methyl-N-phenylprop-2-enamide

: 34944-03-1
(1-benzyl-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile

Guidance literature:: With nickel(II) triflate; 2,6-bis[(4R)-5,5-dihydro-4-phenyl-2-oxazolyl]pyridine; zinc; In N,N-dimethyl acetamide; at 80 ℃; for 48h; Inert atmosphere; Sealed tube;
DOI:10.1021/acs.orglett.1c02270

Reference yield: 62.0%

: 151-50-8
potassium cyanide

: 122128-46-5
N-benzyl-N-(2-iodophenyl)-2-methylacrylamide

: 34944-03-1
(1-benzyl-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile

Guidance literature:: palladium diacetate; 18-crown-6 ether; triphenylphosphine; In benzene; at 80 ℃; for 12h;
DOI:10.1016/S0040-4039(00)93407-5

Reference yield:

: 490035-95-5
N-benzyl-2-(prop-1-en-2-yl)benzen-amine

: 34944-03-1
(1-benzyl-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine / CH₂Cl₂ / -78 - 20 °C

2: 3.83 g / 18-crown-6 / acetonitrile; 2-methyl-propan-2-ol / 2 h / 60 °C

3: 100 percent / Pd(PPh₃)4 / xylene / 3 h / 130 °C

With pyridine; 18-crown-6 ether; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane; acetonitrile; xylene; tert-butyl alcohol;
DOI:10.1016/j.tet.2007.01.060