2,4,6-Trimethyl-beta-nitrostyrene

Base Information

Chemical Name:2,4,6-Trimethyl-beta-nitrostyrene
CAS No.:116272-77-6
Molecular Formula:C₁₁H₁₃NO₂
Molecular Weight:191.23
Hs Code.:
DSSTox Substance ID:DTXSID001245928
Nikkaji Number:J3.164.836J,J3.237.219H

Synonyms:2,4,6-Trimethyl-beta-nitrostyrene;116272-77-6;1,3,5-Trimethyl-2-(2-nitrovinyl)benzene;1,3,5-Trimethyl-2-[(E)-2-nitroethenyl]benzene;AFHLPYVSGULXDW-SNAWJCMRSA-N;DTXSID001245928;ANM100837;1,3,5-Trimethyl-2-[(E)-2-nitrovinyl]benzene;EN300-1856556;1,3,5-Trimethyl-2-[(1E)-2-nitroethenyl]benzene;1,3,5-Trimethyl-2-[(E)-2-nitroethenyl]benzene #

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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 2,4,6-Trimethyl-beta-nitrostyrene

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:191.094628657
Heavy Atom Count:14
Complexity:220

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)C)C=C[N+](=O)[O-])C
Isomeric SMILES:CC1=CC(=C(C(=C1)C)/C=C/[N+](=O)[O-])C

Technology Process of 2,4,6-Trimethyl-beta-nitrostyrene

There total 7 articles about 2,4,6-Trimethyl-beta-nitrostyrene 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: 93.0%

: 769-25-5
2,4,6-trimethylstyrene

: 116272-77-6
trans-2-(2,4,6-trimethylphenyl)-1-nitroethylene

Guidance literature:: With silver(I) nitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In 1,2-dichloro-ethane; at 70 ℃; for 12h; stereoselective reaction; Molecular sieve;
DOI:10.1021/ja311942e

Reference yield: 88.0%

: 116272-77-6
trans-2-(2,4,6-trimethylphenyl)-1-nitroethylene

Guidance literature:: With chloro-trimethyl-silane; copper(ll) sulfate pentahydrate; guanidine nitrate; In acetonitrile; at 0 - 20 ℃; Inert atmosphere;

With triethylamine; In acetonitrile; at 20 ℃; for 0.416667h; stereoselective reaction; Inert atmosphere;

Reference yield: 81.0%

: 79-24-3
Nitroethane

: 108-67-8
1,3,5-trimethyl-benzene

: 116272-77-6
trans-2-(2,4,6-trimethylphenyl)-1-nitroethylene

Guidance literature:: With palladium(II) trifluoroacetate; silver(I) acetate; In 1,2-dimethoxyethane; dimethyl sulfoxide; at 100 ℃; for 24h; Reagent/catalyst; Solvent; regioselective reaction; Glovebox; Schlenk technique; Inert atmosphere;
DOI:10.1021/ol400507u