2-Propenoic acid, 3-(3,5-dimethoxyphenyl)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-(3,5-dimethoxyphenyl)-
• CAS No.: 16909-11-8
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 29163990
• European Community (EC) Number: 240-956-8
• DSSTox Substance ID: DTXSID20937586
• Mol file: 16909-11-8.mol

Synonyms:2-Propenoic acid, 3-(3,5-dimethoxyphenyl)-;3-(3,5-dimethoxyphenyl)prop-2-enoic acid;3',5'-Dimethoxycinnamic acid;EINECS 240-956-8;3,5-dimethoxy-cinnamic acid;DTXSID20937586;AKOS028108531;NSC 359855;3-(3,5-Dimethoxy-phenyl)-acrylic acid;FT-0614644;3-(3,5-DIMETHOXYPHENYL)-2-PROPENOIC ACID

Chemical Property of 2-Propenoic acid, 3-(3,5-dimethoxyphenyl)-

Chemical Property:

• Appearance/Colour: white to light beige powder
• Vapor Pressure: 2.33E-06mmHg at 25°C
• Melting Point: 174-175 ºC
• Refractive Index: 1.4389 (estimate)
• Boiling Point: 377.1 ºC at 760 mmHg
• PKA: 4.33±0.10(Predicted)
• Flash Point: 148.5 ºC
• PSA: 55.76000
• Density: 1.203 g/cm³
• LogP: 1.80160
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 31.44mg/L(25 oC)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

3,5-DimethoxycinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)C=CC(=O)O)OC

Technology Process of 2-Propenoic acid, 3-(3,5-dimethoxyphenyl)-

There total 6 articles about 2-Propenoic acid, 3-(3,5-dimethoxyphenyl)- 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: 94.5%

malonic acid (141-82-2) + 3,5-dimethoxybenzaldehdye (7311-34-4) → 3-(3,5-dimethoxyphenyl)acrylic acid (16909-11-8)

Guidance literature:

With piperidine; In pyridine; at 110 ℃; for 5h;

DOI:10.1039/P19810000471

Reference yield:

(1E,6E)-1,7-bis(3,5-dimethoxyphenyl)-1,6-heptadiene-3,5-dione → 3,5-dimethoxybenzaldehdye (7311-34-4) + C23H24O8 + 4,5-bis(3,5-dimethoxyphenyl)hex-2-endionic acid + C23H24O6 + C23H22O6 + 3-(3,5-dimethoxyphenyl)acrylic acid (16909-11-8) + 3,5-dimethoxybenzoic acid (1132-21-4)

Guidance literature:

In acetonitrile; for 2h; Irradiation;

DOI:10.17344/acsi.2014.1140

Reference yield:

3,5-dimethoxybenzaldehdye (7311-34-4) + acetic anhydride (108-24-7) → 3-(3,5-dimethoxyphenyl)acrylic acid (16909-11-8)

Guidance literature:

With sodium acetate;

upstream raw materials:

malonic acid

3,5-dimethoxybenzaldehdye

acetic anhydride

(2E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid

Downstream raw materials:

3-(3,5-dimethoxyphenyl)propionic acid

trans-3,5-dimethoxycinnamoyl chloride

Refernces

• 1、 Liu, Jian,Wen, Yu,Gao, Lina,Gao, Liang,He, Fengjun,Zhou, Jingxian,Wang, Junwei,Dai, Rupeng,Chen, Xiaojing,Kang, Di,Hu, Lihong. "Design, synthesis and biological evaluation of novel 1H-1,2,4-triazole, benzothiazole and indazole-based derivatives as potent FGFR1 inhibitors viafragment-based virtual screening". . p. 72 - 84. Retrieved 2019/11/14.
• 2、 Galer, Petra,?ket, Boris. "Photodegradation of methoxy substituted curcuminoids". . p. 346 - 353. Retrieved 2015/06/30.