1,1-Dimethylethyl 1,2-dihydro-5-(phenylmethoxy)-1-[[(2,2,6,6-tetramethyl-1-piperidinyl)oxy]methyl]-3H-benz[e]indole-3-carboxylate

Base Information

Chemical Name:1,1-Dimethylethyl 1,2-dihydro-5-(phenylmethoxy)-1-[[(2,2,6,6-tetramethyl-1-piperidinyl)oxy]methyl]-3H-benz[e]indole-3-carboxylate
CAS No.:161646-55-5
Molecular Formula:C34H44N2O4
Molecular Weight:544.734
Hs Code.:
DSSTox Substance ID:DTXSID901102842
Mol file:161646-55-5.mol

Synonyms:SCHEMBL20297046;DTXSID901102842;1,1-Dimethylethyl 1,2-dihydro-5-(phenylmethoxy)-1-[[(2,2,6,6-tetramethyl-1-piperidinyl)oxy]methyl]-3H-benz[e]indole-3-carboxylate;161646-55-5

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Chemical Property of 1,1-Dimethylethyl 1,2-dihydro-5-(phenylmethoxy)-1-[[(2,2,6,6-tetramethyl-1-piperidinyl)oxy]methyl]-3H-benz[e]indole-3-carboxylate

Chemical Property:

XLogP3:7.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:544.33010789
Heavy Atom Count:40
Complexity:845

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CCCC(N1OCC2CN(C3=C2C4=CC=CC=C4C(=C3)OCC5=CC=CC=C5)C(=O)OC(C)(C)C)(C)C)C

Technology Process of 1,1-Dimethylethyl 1,2-dihydro-5-(phenylmethoxy)-1-[[(2,2,6,6-tetramethyl-1-piperidinyl)oxy]methyl]-3H-benz[e]indole-3-carboxylate

There total 7 articles about 1,1-Dimethylethyl 1,2-dihydro-5-(phenylmethoxy)-1-[[(2,2,6,6-tetramethyl-1-piperidinyl)oxy]methyl]-3H-benz[e]indole-3-carboxylate 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: 90.0%

: 2564-83-2,45842-10-2,126517-51-9,25657-03-8,26933-82-4,54637-06-8,64104-42-3
2,2,6,6-Tetramethyl-1-piperidinyloxy free radical

: 161646-54-4
2-<amino>-4-(benzyloxy)-1-iodonaphthalene

: 161646-55-5
5-(Benzyloxy)-3-(tert-butyloxycarbonyl)-1-<<(2',2',6',6'-tetramethylpiperidino)oxy>methyl>-1,2-dihydro-3H-benzindole

Guidance literature:: With tri-n-butyl-tin hydride; In benzene; at 70 ℃; for 1h;
DOI:10.1021/jo00110a034

Reference yield:

: 122745-36-2
N-(tert-butyloxycarbonyl)-4-(benzyloxy)-2-naphthylamine

: 161646-55-5
5-(Benzyloxy)-3-(tert-butyloxycarbonyl)-1-<<(2',2',6',6'-tetramethylpiperidino)oxy>methyl>-1,2-dihydro-3H-benzindole

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / N-iodosuccinimide, H₂SO₄ / tetrahydrofuran; methanol / 3 h / -78 °C

2: 95 percent / NaH / dimethylformamide / 1.) 0 deg C, 45 min, 2.) 25 deg C, 3 h

3: 90 percent / Bu₃SnH / benzene / 1 h / 70 °C

With N-iodo-succinimide; sulfuric acid; tri-n-butyl-tin hydride; sodium hydride; In tetrahydrofuran; methanol; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jo00110a034

Reference yield:

: 161646-53-3
tert-butyl (4-(benzyloxy)-1-iodonaphthalen-2-yl)carbamate

: 161646-55-5
5-(Benzyloxy)-3-(tert-butyloxycarbonyl)-1-<<(2',2',6',6'-tetramethylpiperidino)oxy>methyl>-1,2-dihydro-3H-benzindole

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / NaH / dimethylformamide / 1.) 0 deg C, 45 min, 2.) 25 deg C, 3 h

2: 90 percent / Bu₃SnH / benzene / 1 h / 70 °C

With tri-n-butyl-tin hydride; sodium hydride; In N,N-dimethyl-formamide; benzene;
DOI:10.1021/jo00110a034