5-(3-Bromophenyl)-5-[7-(cyanomethoxy)-1H-indol-1-yl]pentanenitrile

Base Information

Chemical Name:5-(3-Bromophenyl)-5-[7-(cyanomethoxy)-1H-indol-1-yl]pentanenitrile
CAS No.:897402-13-0
Molecular Formula:C₂₁H₁₈BrN₃O
Molecular Weight:408.297
Hs Code.:
DSSTox Substance ID:DTXSID70595519

Synonyms:897402-13-0;SCHEMBL7134469;DTXSID70595519;5-(3-Bromophenyl)-5-[7-(cyanomethoxy)-1H-indol-1-yl]pentanenitrile

Suppliers and Price of 5-(3-Bromophenyl)-5-[7-(cyanomethoxy)-1H-indol-1-yl]pentanenitrile

Supply Marketing:

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

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Chemical Property of 5-(3-Bromophenyl)-5-[7-(cyanomethoxy)-1H-indol-1-yl]pentanenitrile

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:407.06332
Heavy Atom Count:26
Complexity:550

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C(=C1)OCC#N)N(C=C2)C(CCCC#N)C3=CC(=CC=C3)Br

Technology Process of 5-(3-Bromophenyl)-5-[7-(cyanomethoxy)-1H-indol-1-yl]pentanenitrile

There total 11 articles about 5-(3-Bromophenyl)-5-[7-(cyanomethoxy)-1H-indol-1-yl]pentanenitrile 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: 91.0%

: 5-(3-bromo-phenyl)-5-(7-cyanomethoxy-2,3-dihydro-1H-indole)pentanenitrile

: 897402-13-0
5-(3-bromophenyl)-5-(7-cyanomethoxy-1H-indole)pentanenitrile

Guidance literature:: With N,N'-bis(salicylidene)-1,2-phenylene diaminocobalt(II); [Ru(1,10-phenanthroline-5,6-dione)₃](PF₆)₂; oxygen; In methanol; at 65 ℃; for 24h; under 760.051 Torr;
DOI:10.1021/acs.orglett.9b00111

Reference yield: 70.0%

: (1R)-(-)-7-benzyloxy-1-[1-(3-bromophenyl)-4-cyanobutyl]indole

: 897402-13-0
5-(3-bromophenyl)-5-(7-cyanomethoxy-1H-indole)pentanenitrile

Guidance literature:

Reference yield:

: 2380-84-9
7-Indolol

: 897402-13-0
5-(3-bromophenyl)-5-(7-cyanomethoxy-1H-indole)pentanenitrile

Guidance literature:: Multi-step reaction with 4 steps

1: potassium carbonate / 24 h / 20 °C / Inert atmosphere

2: sodium cyanoborohydride / acetic acid / Inert atmosphere

3: N-Methylformamide / 28 h / 50 °C / Inert atmosphere

4: 2,3-dicyano-5,6-dichloro-p-benzoquinone / tetrahydrofuran / 0.08 h / Inert atmosphere

With sodium cyanoborohydride; potassium carbonate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; N-Methylformamide; acetic acid;
DOI:10.1021/op060036x