2-Butenoicacid,2-methyl-3-(4-methylphenyl)-,(E)-(9CI)

Base Information

• Chemical Name: 2-Butenoicacid,2-methyl-3-(4-methylphenyl)-,(E)-(9CI)
• CAS No.: 61712-17-2
• Molecular Formula: C12H14O2
• Molecular Weight: 190.23800
• Hs Code.: 2916399090
• Mol file: 61712-17-2.mol

Synonyms:2-Methyl-3-p-tolyl-crotonsaeure;(E)-2-methyl-3-(p-tolyl)but-2-enoic acid;2-methyl-3-p-tolyl-crotonic acid;2-Butenoic acid,2-methyl-3-(4-methylphenyl)-,(E);2-Butenoic acid,2-methyl-3-(4-methylphenyl)-,(Z);

Chemical Property of 2-Butenoicacid,2-methyl-3-(4-methylphenyl)-,(E)-(9CI)

Chemical Property:

• Boiling Point: 301.8±11.0 °C(Predicted)
• PKA: 5.24±0.10(Predicted)
• PSA: 37.30000
• Density: 1.071±0.06 g/cm3(Predicted)
• LogP: 2.87300

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Butenoicacid,2-methyl-3-(4-methylphenyl)-,(E)-(9CI)

There total 10 articles about 2-Butenoicacid,2-methyl-3-(4-methylphenyl)-,(E)-(9CI) 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%

ethyl (2E)-2-methyl-3-(4-methylphenyl)but-2-enoate (61712-12-7) → (E)-2-methyl-3-(p-tolyl)but-2-enoic acid (61712-17-2,105640-24-2)

Guidance literature:

With lithium hydroxide monohydrate; water; In tetrahydrofuran; methanol; at 20 - 70 ℃;

DOI:10.1002/anie.201403587

Reference yield:

C14H15F3O5S (1643935-43-6) → (E)-2-methyl-3-(p-tolyl)but-2-enoic acid (61712-17-2,105640-24-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: copper(l) cyanide / diethyl ether / 0.5 h / -50 °C / Inert atmosphere

1.2: 0.5 h / -50 °C / Inert atmosphere

2.1: lithium hydroxide monohydrate; water / tetrahydrofuran; methanol / 20 - 70 °C

With lithium hydroxide monohydrate; water; copper(l) cyanide; In tetrahydrofuran; methanol; diethyl ether;

DOI:10.1002/anie.201403587

Reference yield:

2-methyl-3-(p-methylphenyl)-3-oxopropionic acid ethyl ester (52884-48-7) → (E)-2-methyl-3-(p-tolyl)but-2-enoic acid (61712-17-2,105640-24-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydride / mineral oil; toluene / 1.5 h / 85 °C

1.2: 2 h / 0 °C

2.1: copper(l) cyanide / diethyl ether / 0.5 h / -50 °C / Inert atmosphere

2.2: 0.5 h / -50 °C / Inert atmosphere

3.1: lithium hydroxide monohydrate; water / tetrahydrofuran; methanol / 20 - 70 °C

With lithium hydroxide monohydrate; water; copper(l) cyanide; sodium hydride; In tetrahydrofuran; methanol; diethyl ether; toluene; mineral oil;

DOI:10.1002/anie.201403587

upstream raw materials:

formic acid

3-hydroxy-2-methyl-3-p-tolyl-butyric acid ethyl ester

2-methyl-3-p-tolyl-crotonic acid ethyl ester

(Z)-4,α,β-Trimethylzimtsaeure

Downstream raw materials:

(Z)-4,α,β-Trimethylzimtsaeure

(1S,2S)-phenyl 4-hydroxy-1,2,3-trimethyl-5-oxo-2-(p-tolyl)cyclopent-3-enecarboxylate

(2E,5E)-phenyl 3-(benzhydryloxy)-2,5-dimethyl-4-oxo-6-(p-tolyl)hepta-2,5-dienoate

2-methyl-3-(p-tolyl)butanoic acid

Refernces

• 1、 Balsamo, Aldo,Crotti, Paolo,Macchia, Bruno,Macchia, Franco,Martinelli, Adriano,et al.. "SYNTHESIS, MOLECULAR PROPERTIES AND PHARMACOLOGICAL ACTIVITY OF SOME p-SUBSTITUTED (E)- AND (Z)-α,β-DIMETHYLCINNAMIC ACIDS". . p. 327 - 332. Retrieved 2007/10/02.