2,4-dimethyl-1-[(E)-2-nitroethenyl]benzene

Base Information

Chemical Name:2,4-dimethyl-1-[(E)-2-nitroethenyl]benzene
CAS No.:1056474-39-5
Molecular Formula:C₁₀H₁₁NO₂
Molecular Weight:177.203
Hs Code.:
DSSTox Substance ID:DTXSID101261014
Nikkaji Number:J1.526.585J

Synonyms:2,4-dimethyl-1-[(E)-2-nitroethenyl]benzene;1056474-39-5;2,4-dimethyl-1-(2-nitroethenyl)benzene;beta-Nitro-2,4-dimethylstyrene;SCHEMBL11077527;DTXSID101261014;ANM100804;ZB0517;AKOS010878718;(E)-2,4-dimethyl-1-(2-nitrovinyl)benzene;2,4-Dimethyl-1-[(1E)-2-nitroethenyl]benzene;EN300-1852978

Suppliers and Price of 2,4-dimethyl-1-[(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-dimethyl-1-[(E)-2-nitroethenyl]benzene

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:177.078978594
Heavy Atom Count:13
Complexity:208

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2,4-dimethyl-1-[(E)-2-nitroethenyl]benzene

There total 3 articles about 2,4-dimethyl-1-[(E)-2-nitroethenyl]benzene 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: 84.0%

: 75-52-5
nitromethane

: 15764-16-6
2,4-dimethylbenzaldehyde

: 1056474-39-5
(E)-2,4-dimethyl-1-(2-nitrovinyl)benzene

Guidance literature:: nitromethane; 2,4-dimethylbenzaldehyde; With sodium hydroxide; In methanol; at 10 ℃; for 0.25h;

With hydrogenchloride; In methanol; water;
DOI:10.1016/j.tet.2013.02.084

Reference yield: 70.0%

: 2234-20-0
2,4-dimethylstyrene

: 1056474-39-5
(E)-2,4-dimethyl-1-(2-nitrovinyl)benzene

Guidance literature:: With dipotassium peroxodisulfate; trifluoroacetic acid; sodium nitrite; In dichloromethane; water; at 20 ℃;
DOI:10.1039/c9ra06414a

Reference yield:

: 79-24-3
Nitroethane

: 108-38-3,104809-90-7
m-xylene

: 1056474-39-5
(E)-2,4-dimethyl-1-(2-nitrovinyl)benzene

: 120355-46-6
(E)-1,3-dimethyl-5-(2-nitrovinyl)benzene

: 120355-43-3
(E)-1,3-dimethyl-2-(2-nitrovinyl)benzene

Guidance literature:: With palladium(II) trifluoroacetate; silver(I) acetate; In 1,2-dimethoxyethane; dimethyl sulfoxide; at 100 ℃; for 24h; Overall yield = 62 %; regioselective reaction; Glovebox; Schlenk technique; Inert atmosphere;
DOI:10.1021/ol400507u