3-[4-(METHYLSULFANYL)PHENYL]ACRYLIC ACID

Base Information

• Chemical Name: 3-[4-(METHYLSULFANYL)PHENYL]ACRYLIC ACID
• CAS No.: 102016-58-0
• Molecular Formula: C10H10O2S
• Molecular Weight: 194.254
• Hs Code.: 2930909090
• Mol file: 102016-58-0.mol

Synonyms:Cinnamicacid, p-(methylthio)- (6CI);3-(4-Methylsulfanylphenyl)acrylic acid;

Chemical Property of 3-[4-(METHYLSULFANYL)PHENYL]ACRYLIC ACID

Chemical Property:

• Vapor Pressure: 6.71E-06mmHg at 25°C
• Melting Point: 174-175 °C
• Refractive Index: 1.613
• Boiling Point: 362.8 °C at 760 mmHg
• PKA: 4.50±0.10(Predicted)
• Flash Point: 173.2 °C
• PSA: 62.60000
• Density: 1.23 g/cm³
• LogP: 2.50630
• Storage Temp.: 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

3-(4-(Methylthio)phenyl)acrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[4-(METHYLSULFANYL)PHENYL]ACRYLIC ACID

There total 4 articles about 3-[4-(METHYLSULFANYL)PHENYL]ACRYLIC ACID 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: 65.0%

3-(4-(methylmercapto)phenyl)propionic acid (138485-81-1) → p-(methylthio)cinnamic acid (102016-58-0)

Guidance literature:

With 6-(quinolin-2-yl)pyridin-2(1H)-one; sodium acetate; palladium diacetate; lithium carbonate; silver carbonate; In 1,4-dioxane; tert-Amyl alcohol; at 110 ℃; for 16h; Inert atmosphere;

DOI:10.1126/science.abl3939

Reference yield:

acrylic acid (79-10-7) → p-(methylthio)cinnamic acid (102016-58-0)

Guidance literature:

With tributyl-amine; palladium diacetate; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1016/j.bmcl.2010.04.014

Reference yield:

malonic acid (141-82-2) + 4-(Methylthio)benzaldehyde (3446-89-7) → p-(methylthio)cinnamic acid (102016-58-0)

Guidance literature:

With piperidine; pyridine; for 3h; Heating;

DOI:10.1002/chem.200400516

upstream raw materials:

malonic acid

4-(Methylthio)benzaldehyde

acrylic acid

3-(4-(methylmercapto)phenyl)propionic acid

Downstream raw materials:

1-[3-(4-methylsulfanyl-phenyl)-acryloyl]-4-(4-oxo-5-phenyl-4,5-dihydro-oxazol-2-yl)-piperazine

C₁₀H₁₁NOS

3-(4-(methylmercapto)phenyl)propionic acid

(4-(3-bromopropyl)phenyl)(methyl)sulfane

Refernces

• 1、 Tachikawa, Takashi,Yoshida, Akihiro,Tojo, Sachiko,Sugimoto, Akira,Fujitsuka, Mamoru,Majima, Tetsuro. "Evaluation of the efficiency of the photocatalytic one-electron oxidation reaction of aromatic compounds adsorbed on a TiO2 surface". . p. 5345 - 5353. Retrieved 2004.
• 2、 Peng, Shiyong,Chen, Nuan,Zhang, Hong,He, Min,Li, Hongguang,Lang, Ming,Wang, Jian. "Palladium(II)-Catalyzed Oxidative Decarboxylative [2 + 2 + 1] Annulation of Cinnamic Acids with Alkynes: Access to Polysubstituted Pentafulvenes". supporting information. p. 5589 - 5593. Retrieved 2020/07/08.