trans-3,4,5-Trimethoxy-beta-methyl-beta-nitrostyrene

Base Information

Chemical Name:trans-3,4,5-Trimethoxy-beta-methyl-beta-nitrostyrene
CAS No.:38059-94-8
Molecular Formula:C12H15NO5
Molecular Weight:253.255
Hs Code.:
DSSTox Substance ID:DTXSID801209532
Nikkaji Number:J2.610.970A
Mol file:38059-94-8.mol

Synonyms:Cambridge id 5402600;Oprea1_170337;SCHEMBL1246880;TUTKQLIXDCWWJG-VMPITWQZSA-N;1,2,3-Trimethoxy-5-[(1E)-2-nitro-1-propen-1-yl]benzene;DTXSID801209532;CCG-8049;AKOS000609105;38059-94-8;BIM-0020176.P001;(E)-1-(3,4,5-Trimethoxyphenyl)-2-nitro-1-propene;Z56755543;(e)-2-nitro-1-(3',4',5'-trimethoxyphenyl)prop-1-ene;1,2,3-Trimethoxy-5-[(1E)-2-nitro-1-propenyl]benzene #;trans-3,4,5-Trimethoxy-.beta.-methyl-.beta.-nitrostyrene

Suppliers and Price of trans-3,4,5-Trimethoxy-beta-methyl-beta-nitrostyrene

Supply Marketing:

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

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Chemical Property of trans-3,4,5-Trimethoxy-beta-methyl-beta-nitrostyrene

Chemical Property:

Vapor Pressure:1.24E-05mmHg at 25°C
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:253.09502258
Heavy Atom Count:18
Complexity:298

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of trans-3,4,5-Trimethoxy-beta-methyl-beta-nitrostyrene

There total 4 articles about trans-3,4,5-Trimethoxy-beta-methyl-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: 81.0%

: 79-24-3
Nitroethane

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 38059-94-8
(E)-1,2,3-trimethoxy-5-(2-nitroprop-1-enyl)benzene

Guidance literature:: With phenolformaldehyde-based ethylenediamine-modified polymer; at 90 ℃; for 6h;
DOI:10.1016/j.tet.2008.04.100

Reference yield:

: C₁₃H₁₅F₃O₆S

: 38059-94-8
(E)-1,2,3-trimethoxy-5-(2-nitroprop-1-enyl)benzene

Guidance literature:: C₁₃H₁₅F₃O₆S; With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,2-dimethoxyethane; at 20 ℃; for 0.166667h; Inert atmosphere;

With tetrabutylammomium bromide; sodium nitrite; In 1,2-dimethoxyethane; for 5h; Reflux;
DOI:10.1016/j.tetlet.2013.04.038

Reference yield:

: 16603-18-2
(3,4,5-trimethoxyphenyl)acetone

: 38059-94-8
(E)-1,2,3-trimethoxy-5-(2-nitroprop-1-enyl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1.1: caesium carbonate / 1,2-dimethoxyethane / 5 h / 20 °C / Inert atmosphere

2.1: palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl / 1,2-dimethoxyethane / 0.17 h / 20 °C / Inert atmosphere

2.2: 5 h / Reflux

With palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,2-dimethoxyethane;
DOI:10.1016/j.tetlet.2013.04.038