Methyl 1-[(4-chlorophenyl)methyl]-4,5-dihydro-alpha,alpha,4-trimethyl-6-[(5-phenyl-2-pyridinyl)methoxy]-1H-thiopyrano[2,3,4-cd]indole-2-propanoate

Base Information

Chemical Name:Methyl 1-[(4-chlorophenyl)methyl]-4,5-dihydro-alpha,alpha,4-trimethyl-6-[(5-phenyl-2-pyridinyl)methoxy]-1H-thiopyrano[2,3,4-cd]indole-2-propanoate
CAS No.:146775-33-9
Molecular Formula:C₃₆H₃₅ClN₂O₃S
Molecular Weight:611.205
Hs Code.:
DSSTox Substance ID:DTXSID101101452

Methyl 1-[(4-chlorophenyl)methyl]-4,5-dihydro-alpha,alpha,4-trimethyl-6-[(5-phenyl-2-pyridinyl)methoxy]-1H-thiopyrano[2,3,4-cd]indole-2-propanoate

Synonyms:SCHEMBL9582675;DTXSID101101452;146775-33-9

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Chemical Property of Methyl 1-[(4-chlorophenyl)methyl]-4,5-dihydro-alpha,alpha,4-trimethyl-6-[(5-phenyl-2-pyridinyl)methoxy]-1H-thiopyrano[2,3,4-cd]indole-2-propanoate

Chemical Property:

XLogP3:8.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:610.2056919
Heavy Atom Count:43
Complexity:922

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CC2=C(C=CC3=C2C(=C(N3CC4=CC=C(C=C4)Cl)CC(C)(C)C(=O)OC)S1)OCC5=NC=C(C=C5)C6=CC=CC=C6

Technology Process of Methyl 1-[(4-chlorophenyl)methyl]-4,5-dihydro-alpha,alpha,4-trimethyl-6-[(5-phenyl-2-pyridinyl)methoxy]-1H-thiopyrano[2,3,4-cd]indole-2-propanoate

There total 6 articles about Methyl 1-[(4-chlorophenyl)methyl]-4,5-dihydro-alpha,alpha,4-trimethyl-6-[(5-phenyl-2-pyridinyl)methoxy]-1H-thiopyrano[2,3,4-cd]indole-2-propanoate 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: 82.0%

: 146775-28-2
2-chloromethyl-5-phenylpyridine

: 144397-00-2
methyl 3-<1-(4-chlorobenzyl)-4-methyl-6-hydroxy-4,5-dihydro-1H-thiopyrano<2,3,4-c,d>indol-2-yl>-2,2-dimethylpropanoate

: 146775-33-9
methyl 3-<1-(4-chlorobenzyl)-4-methyl-6-<(5-phenylpyridin-2-yl)methoxy>-4,5-dihydro-1H-thiopyrano<2,3,4-c,d>indol-2-yl>-2,2-dimethylpropanoate

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; for 1h;
DOI:10.1021/jm00071a008

Reference yield:

: 3256-88-0
5-phenyl-2-picoline

: 146775-33-9
methyl 3-<1-(4-chlorobenzyl)-4-methyl-6-<(5-phenylpyridin-2-yl)methoxy>-4,5-dihydro-1H-thiopyrano<2,3,4-c,d>indol-2-yl>-2,2-dimethylpropanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 45 percent / N-chlorosuccinimide, benzoyl peroxide / CCl₄ / 5 h / Heating; Irradiation

2: 82 percent / NaH / dimethylformamide / 1 h

With N-chloro-succinimide; Perbenzoic acid; sodium hydride; In tetrachloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00071a008

Reference yield:

: 144396-98-5
methyl 3-<1-(4-chlorobenzyl)-3-(tert-butylthio)-5-(allyloxy)indol-2-yl>-2,2-dimethylpropanoate

: 146775-33-9
methyl 3-<1-(4-chlorobenzyl)-4-methyl-6-<(5-phenylpyridin-2-yl)methoxy>-4,5-dihydro-1H-thiopyrano<2,3,4-c,d>indol-2-yl>-2,2-dimethylpropanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 2.) p-toluenesulfonic acid / 1.) 1,2-dichlorobenzene, reflux, 16 h, 2.) 1,2-dichlorobenzene, 150 deg C, 45 min

2: 82 percent / NaH / dimethylformamide / 1 h

With sodium hydride; toluene-4-sulfonic acid; In N,N-dimethyl-formamide;
DOI:10.1021/jm00071a008