1-(2,5-Dimethoxyphenyl)-2-nitropropene

Base Information

• Chemical Name: 1-(2,5-Dimethoxyphenyl)-2-nitropropene
• CAS No.: 18790-57-3
• Molecular Formula: C11H13NO4
• Molecular Weight: 223.229
• Hs Code.: 2909309090
• European Community (EC) Number: 242-573-1
• Mol file: 18790-57-3.mol

Synonyms:1,4-dimethoxy-2-(2-nitroprop-1-en-1-yl)benzene;18790-57-3;1-(2,5-Dimethoxyphenyl)-2-nitropropene;Benzene, 1,4-dimethoxy-2-(2-nitropropenyl)-;1,4-dimethoxy-2-(2-nitroprop-1-enyl)benzene;Benzene, 1,4-dimethoxy-2-(2-nitro-1-propenyl)-;2,5-Dimethoxy-beta-methyl-beta-nitrostyrene;2,5-Dimethoxy-.beta.-methyl-.beta.-nitrostyrene;Benzene,1,4-dimethoxy-2-(2-nitro-1-propen-1-yl)-;SCHEMBL11483415;SCHEMBL16429416;MQFREHNTGKNSRH-SOFGYWHQSA-N;MFCD00136144;AKOS022219548;CS-W014232;1-(2,5-Dimethoxyphenyl) 2-nitropropene;AS-68283;(E)-1,4-dimethoxy-2-(2-nitroprop-1-enyl)benzene;(e)-2-nitro-1-(2',5'-dimethoxyphenyl)prop-1-ene;1,4-Dimethoxy-2-[(1E)-2-nitro-1-propenyl]benzene #

Chemical Property of 1-(2,5-Dimethoxyphenyl)-2-nitropropene

Chemical Property:

• Vapor Pressure: 6.31E-05mmHg at 25°C
• Melting Point: 75 °C
• Refractive Index: 1.555
• Boiling Point: 355.7 °C at 760 mmHg
• Flash Point: 157.8 °C
• PSA: 64.28000
• Density: 1.168 g/cm³
• LogP: 2.86450
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Dichloromethane, Diethyl Ether, Ethyl Acetate, Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

1-(2,5-Dimethoxyphenyl)-2-nitropropene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=C(C=CC(=C1)OC)OC)[N+](=O)[O-]
• Isomeric SMILES: C/C(=C\C1=C(C=CC(=C1)OC)OC)/[N+](=O)[O-]
• Uses: Used in the preparation of hallucinogenic phenethylamine derivatives.

Technology Process of 1-(2,5-Dimethoxyphenyl)-2-nitropropene

There total 3 articles about 1-(2,5-Dimethoxyphenyl)-2-nitropropene 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: 90.0%

Nitroethane (79-24-3) + 2,5-dimethoxybenzaldehyde (93-02-7) → (E)-1,4-dimethoxy-2-(2-nitroprop-1-en-1-yl) benzene (18790-57-3)

Guidance literature:

With ammonium acetate; at 105 ℃; for 7h;

DOI:10.1021/jm00073a009

Reference yield:

Nitroethane (79-24-3) + ethylamine (75-04-7,85404-22-4) + 2,5-dimethoxybenzaldehyde (93-02-7) → (E)-1,4-dimethoxy-2-(2-nitroprop-1-en-1-yl) benzene (18790-57-3)

Guidance literature:

DOI:10.1002/biof.5520110404

Reference yield:

→ (E)-1,4-dimethoxy-2-(2-nitroprop-1-en-1-yl) benzene (18790-57-3)

Guidance literature:

2.5-Dimethoxy-benzaldehyd, Nitroaethan;

upstream raw materials:

Nitroethane

ethylamine

2,5-dimethoxybenzaldehyde

Downstream raw materials:

2-amino-3-cyano-5-(2',5'-dimethoxyphenyl)-4-methylthiophene

3-(2,5-dimethoxyphenyl)-2-propylidenemalononitrile

2-(2,5-Dimethoxyphenyl)-2-methyl-nitroaethan

2,5-dimethoxyphenylisopropylamine

Refernces

• 1、 Coutts,Malicky. "The synthesis of some analogs of the hallucinogen 1 (2,5 dimethoxy 4 methylphenyl) 2 aminopropane (DOM)". . p. 1402 - 1409. Retrieved 2007/10/05.