2-Propenoic acid, 3-(4-methoxyphenyl)-2-methyl-, (2E)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-(4-methoxyphenyl)-2-methyl-, (2E)-
• CAS No.: 40527-52-4
• Molecular Formula: C11H12 O3
• Molecular Weight: 192.214
• Hs Code.: 2918990090
• NSC Number: 49128
• Nikkaji Number: J709.984C,J725.431H
• Mol file: 40527-52-4.mol

Synonyms:40527-52-4;13048-80-1;2-Propenoic acid, 3-(4-methoxyphenyl)-2-methyl-, (2E)-;(E)-3-(4-Methoxyphenyl)-2-methylacrylic acid;(2E)-3-(4-METHOXYPHENYL)-2-METHYLPROP-2-ENOIC ACID;3-(4-Methoxyphenyl)-2-methyl-2-propenoic acid;NSC49128;(E)-3-(4-methoxyphenyl)-2-methylprop-2-enoic acid;SCHEMBL1237224;SCHEMBL1237225;alpha-Methyl-4-methoxycinnamic acid;MFCD00156954;NSC-49128;AKOS006273883;p-Methoxy-.alpha.-methyl-cinnamic acid;AS-69608;2-Methyl-3-(4-methoxyphenyl)acrylic acid;(E)-3-(4-Methoxyphenyl)-2-methylacrylicacid;W18287;(E)-2-methyl-3-(4-methoxyphenyl)propenoic acid;(2E)-3-(4-Methoxyphenyl)-2-methyl-2-propenoic acid;(2E)-3-(4-Methoxyphenyl)-2-methyl-2-propenoic acid #

Chemical Property of 2-Propenoic acid, 3-(4-methoxyphenyl)-2-methyl-, (2E)-

Chemical Property:

• Vapor Pressure: 2.33E-05mmHg at 25°C
• Boiling Point: 345.5°Cat760mmHg
• Flash Point: 135.6°C
• PSA: 46.53000
• Density: 1.162g/cm³
• LogP: 2.18310
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

99%min ^*data from raw suppliers

(2E)-3-(4-METHOXYPHENYL)-2-METHYL-2-PROPENOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=C(C=C1)OC)C(=O)O
• Isomeric SMILES: C/C(=C\C1=CC=C(C=C1)OC)/C(=O)O

Technology Process of 2-Propenoic acid, 3-(4-methoxyphenyl)-2-methyl-, (2E)-

There total 32 articles about 2-Propenoic acid, 3-(4-methoxyphenyl)-2-methyl-, (2E)- 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: 100.0%

ethyl (E)-3-(4-methoxyphenyl)-2-methylpropenoate (52750-05-7,119870-81-4,115754-00-2) → (E)-3-(4-methoxyphenyl)-2-methylacrylic acid (13048-81-2,40527-52-4,13048-80-1)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; for 3h; Heating;

DOI:10.1002/anie.201710601

Reference yield: 85.0%

2-(diethylphosphono)propionic acid (30094-28-1) + 4-methoxy-benzaldehyde (123-11-5) → (E)-3-(4-methoxyphenyl)-2-methylacrylic acid (13048-81-2,40527-52-4,13048-80-1)

Guidance literature:

2-(diethylphosphono)propionic acid; With n-butyllithium; In tetrahydrofuran; hexane; at -60 ℃; for 1h; Inert atmosphere; Schlenk technique;

4-methoxy-benzaldehyde; In tetrahydrofuran; hexane; at -60 - 20 ℃; stereoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1055/s-0034-1379254

Reference yield: 82.0%

[(Z)-2-methoxycarbonyl-3-(4-methoxyphenyl)-2-propenyl]triphenylphosphonium bromide (1367876-22-9) → (E)-3-(4-methoxyphenyl)-2-methylacrylic acid (13048-81-2,40527-52-4,13048-80-1)

Guidance literature:

With water; sodium hydroxide; at 100 ℃; for 0.5h; regioselective reaction; Microwave irradiation;

DOI:10.1002/hc.21001

upstream raw materials:

3-(4-methoxy-phenyl)-2-methyl-acrylic acid ethyl ester

sodium formate

sodium proprionate

4-methoxy-benzaldehyde

Downstream raw materials:

3-(4-methoxyphenyl)-2-methylpropionic acid

2-methyl-3t-(4-methoxy-phenyl)-acrylic acid amide

(E)-N-methoxy-N-methyl-3-(4-methoxyphenyl)-2-methyl-acrylamide

Refernces

• 1、 Chen, Kai-Hong,He, Liang-Nian,Qiu, Li-Qi,Xia, Shu-Mei,Yang, Zhi-Wen,Yao, Xiang-Yang. "The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: An alternative indirect utilization of CO2". supporting information. p. 8089 - 8095. Retrieved 2021/11/01.
• 2、 Jiang, Bing,Zhao, Meng,Li, Shu-Sen,Xu, Yun-He,Loh, Teck-Peng. "Macrolide Synthesis through Intramolecular Oxidative Cross-Coupling of Alkenes". . p. 555 - 559. Retrieved 2018/02/21.