3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole

Base Information

Chemical Name:3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole
CAS No.:731826-97-4
Molecular Formula:C₁₆H₁₃BrN₂O₂
Molecular Weight:345.195
Hs Code.:
DSSTox Substance ID:DTXSID701257095
Nikkaji Number:J2.924.525H

Synonyms:3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole;731826-97-4;DTXSID701257095;AKOS034468052;EN300-17551;3-[alpha-(Nitromethyl)-4-bromobenzyl]-1H-indole;Z56955942

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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 3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:344.01604
Heavy Atom Count:21
Complexity:366

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br

Technology Process of 3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole

There total 3 articles about 3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole 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%

: 120-72-9
indole

: 3156-37-4
4-bromo-β-nitrostyrene

: 731826-97-4
3-(1-(4-bromophenyl)-2-nitroethyl)-1H-indole

Guidance literature:: 4-bromo-β-nitrostyrene; With (S)-10,10'-bis[(S)-4-isopropyl-4,5-dihydrooxazol-2-yl]-9,9'-biphenanthrene; zinc(II) trifluoroacetate; In diethyl ether; at 20 ℃; for 0.25h; Inert atmosphere;

indole; In diethyl ether; at 20 ℃; Inert atmosphere;
DOI:10.1016/j.tet.2008.11.083

Reference yield: 85.0%

: 120-72-9
indole

: 3156-37-4,5153-71-9
(E)-1-bromo-4-(2-nitrovinyl)benzene

: 731826-97-4
3-(1-(4-bromophenyl)-2-nitroethyl)-1H-indole

Guidance literature:: With N,N'-bis(3,5-bis(trifluoromethyl)benzyl)-2-nitroethene-1,1-diamine; In toluene; at 20 ℃; for 48h;
DOI:10.1016/j.tet.2013.08.040

Reference yield:

: 1122-91-4
4-bromo-benzaldehyde

: 731826-97-4
3-(1-(4-bromophenyl)-2-nitroethyl)-1H-indole

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / methanol; water / 1 h / 0 - 5 °C

2: zinc(II) acetate dihydrate / cyclohexane / 14 h / 80 °C

With zinc(II) acetate dihydrate; sodium hydroxide; In methanol; cyclohexane; water; 2: Michael addition;
DOI:10.1080/00397910903576610