5556-76-3

Basic information

• Product Name: 1-(3,4,5-TRIMETHOXYPHENYL)-2-NITROPROPENE, >95%
• Synonyms: 1-(3,4,5-TRIMETHOXYPHENYL)-2-NITROPROPENE, >95%
• CAS NO: 5556-76-3
• Molecular Formula: C₁₂H₁₅NO₅
• Molecular Weight: 253.25
• Mol File: 5556-76-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 379.9°Cat760mmHg
• Flash Point: 162°C
• Appearance: /
• Density: 1.177g/cm³
• Vapor Pressure: 1.24E-05mmHg at 25°C
• Refractive Index: 1.545
• CAS DataBase Reference: 1-(3,4,5-TRIMETHOXYPHENYL)-2-NITROPROPENE, >95%(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3,4,5-TRIMETHOXYPHENYL)-2-NITROPROPENE, >95%(5556-76-3)
• EPA Substance Registry System: 1-(3,4,5-TRIMETHOXYPHENYL)-2-NITROPROPENE, >95%(5556-76-3)

Safety Data

• Hazardous Substances Data: 5556-76-3(Hazardous Substances Data)

Usage

Description

1-(3,4,5-Trimethoxyphenyl)-2-nitropropene, >95%, also known as TMA-6, is a potent chemical compound with a purity greater than 95%. It is a yellow crystalline solid with a molecular formula of C12H15NO5 and a molecular weight of 253.25 g/mol. TMA-6 is a derivative of the phenethylamine psychedelic drug 2C-T-7 and is known for its hallucinogenic effects. It is primarily used for research purposes and is not approved for human consumption. TMA-6 is a potent compound and should be handled with care and used in a controlled environment by trained professionals.

Uses

Used in Research Applications:
1-(3,4,5-Trimethoxyphenyl)-2-nitropropene, >95% is used as a research chemical for studying its hallucinogenic properties and potential effects on the human brain. 1-(3,4,5-TRIMETHOXYPHENYL)-2-NITROPROPENE, >95% provides valuable insights into the field of psychopharmacology and helps researchers understand the mechanisms of action of psychedelic substances.
Used in Pharmaceutical Development:
1-(3,4,5-Trimethoxyphenyl)-2-nitropropene, >95% is used as a starting material or intermediate in the synthesis of other related compounds with potential pharmaceutical applications. Its structural properties make it a valuable component in the development of new drugs targeting various medical conditions.
Used in Analytical Chemistry:
1-(3,4,5-Trimethoxyphenyl)-2-nitropropene, >95% is used as a reference compound in analytical chemistry for the development and validation of analytical methods, such as chromatography and mass spectrometry. Its unique chemical properties allow for the accurate identification and quantification of related compounds in complex samples.
Used in Toxicological Studies:
1-(3,4,5-Trimethoxyphenyl)-2-nitropropene, >95% is used in toxicological research to investigate the potential adverse effects of the compound on human health and the environment. This information is crucial for assessing the safety and risk associated with the use and handling of TMA-6 in various settings.
Used in Forensic Science:
1-(3,4,5-Trimethoxyphenyl)-2-nitropropene, >95% is used as a reference substance in forensic science for the identification and analysis of controlled substances. Its unique chemical signature aids in the detection and differentiation of similar compounds in forensic investigations.
Used in Quality Control:
1-(3,4,5-Trimethoxyphenyl)-2-nitropropene, >95% is used in the quality control of chemical products and pharmaceuticals to ensure the purity and potency of the compounds. Its high purity level serves as a benchmark for evaluating the effectiveness of purification and synthesis processes.
Used in Environmental Monitoring:
1-(3,4,5-Trimethoxyphenyl)-2-nitropropene, >95% is used in environmental monitoring to detect and quantify the presence of the compound in various environmental samples, such as water, soil, and air. This information is essential for assessing the potential environmental impact of TMA-6 and implementing appropriate mitigation measures.

InChI:InChI=1/C12H15NO5/c1-8(13(14)15)5-9-6-10(16-2)12(18-4)11(7-9)17-3/h5-7H,1-4H3/b8-5+

Upstream product

• 79-24-3 Nitroethane 
• 86-81-7 3,4,5-trimethoxy-benzaldehyde 

Downstream Products

• 16603-18-2 (3,4,5-trimethoxyphenyl)acetone 
• 1082-88-8 3,4,5-trimethoxyamphetamine 
• 152093-87-3 3-(3,4,5-trimethoxyphenyl)-2-propylidenemalononitrile 
• 152093-93-1 2-amino-3-cyano-5-(3',4',5'-trimethoxyphenyl)-4-methylthiophene 
• 51808-91-4 3-Hydroxy-3-methyl-4-(3,4,5-trimethoxy-phenyl)-butyric acid 
• 36474-64-3 3-Hydroxy-3-methyl-4-(3,4,5-trimethoxy-phenyl)-butyric acid ethyl ester 
• 1215288-78-0 1-acetylamino-2-bromo-1-(3,4,5-trimethoxyphenyl)-2-nitropropane 
• 1323976-15-3 (4-methyl-5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2-yl)(phenyl)methanone 

Relevant articles and documents

Supramolecular Columnar Liquid Crystals with Tapered-Shape Simple Pyrazoles Obtained by Efficient Henry/Michael Reactions

A straightforward synthesis of mesogenic pyrazoles starting from benzaldehydes by a combination of efficient Henry and Michael reactions led to novel supramolecular liquid crystals. The mesogens are fluorescent 3,5-dimethyl-4-(di or trialkoxyphenyl)pyrazoles and, in spite of the tapered shape of these molecules and their structural simplicity (only one phenyl ring), columnar liquid-crystal phases were formed that are stable at room temperature. The self-assembled structure was studied by XRD and the columnar cross section contains two molecules on average with an antiparallel arrangement of pyrazoles interacting through hydrogen bonds. In contrast, the single-crystal structure of a trimethoxy analog did not show hydrogen-bonded pyrazoles but chains of head-to-tail arranged molecules.

2,4-Diaminothienopyrimidine Analogues of Trimetrexate and Piritrexim as Potential Inhibitors of Pneumocystis Carinii and Toxoplasma gondii Dihydrofolate Reductase

A series of eight previously undescribed 2,4-diaminothienopyrimidine analogues of the potent dihydrofolate reductase (DHFR) inhibitors trimetrexate (TMQ) and piritrexim (PTX) were synthesized as potential drugs against Pneumocystis carinii and Toxoplasma gondii, which are major causes of severe opportunistic infections in AIDS patients. 2,4-Diamino-5-methyl-6-(aryl/aralkyl)thienopyrimidines with 3,4,5-trimethoxy or 2,5-dimethoxy substitution in the aryl/aralkyl moiety and 2,4-diamino-5-(aryl/aralkyl)thienopyrimidines with 2,5-dimethoxy substitution in the aryl/aralkyl moiety were obtained by reaction of the corresponding 2-amino-3-cyanothiophenes with chloroformamidine hydrochloride.The aryl group in the 5,6-disubstituted analogues was either attached directly to the hetero ring or was separated from it by one or two carbons, whereas the aryl group in the 5-monosubstituted analogues was separated from the hetero ring by two or three carbons. 2-Amino-3-cyano-5-methyl-6-(aryl/alkyl)thiophene intermediates for the preparation of the 5,6-disubstituted analogues were prepared from ω-aryl-2-alkylidenemalononitriles and sulfur in the presence of a secondary amine, and 2-amino-3-cyano-4-(aryl/aralkyl)thiophene intermediates for the preparation of the 5-monosubstituted analogues were obtained from ω-aryl-1-chloro-2-alkylidenemalononitriles and sodium hydrosulfide.Synthetic routes to the heterofore unknown ylidenemalononitriles, and the ketone precursors thereof, were developed.The final products were tested in vitro as inhibitors of DHFR from Pneumocystis carinii, Toxoplasma gondii, rat liver, beef liver, and Lactobacillus casei.A select number of previously known 2,4-diaminothienopyrimidines lacking the 3,4,5-trimethoxyphenyl and 2,5-dimethoxyphenyl substitution pattern of TMQ and PTX, respectively, were also tested for comparison.None of the compounds was as potent as TMQ or PTX, and while some of them showed some selectivity in their binding to Pneumocystis carinii and Toxoplasma gondii versus rat liver DHFR, this effect was not deemed large enough to warrant further preclinical evaluation.

The six trimethoxyphenylisopropylamines (trimethoxyamphetamines).

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