2-Propenoic acid, 3-(4-formylphenyl)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-(4-formylphenyl)-
• CAS No.: 23359-08-2
• Molecular Formula: C10H8O3
• Molecular Weight: 176.172
• Hs Code.: 29183000
• DSSTox Substance ID: DTXSID201292818
• Mol file: 23359-08-2.mol

Synonyms:2-Propenoic acid, 3-(4-formylphenyl)-;4-formyl cinnamic acid;MFCD00006955;(2E)-3-(4-formylphenyl)acrylic acid;DTXSID201292818;3-(4-formyl-phenyl)-acrylic acid;AMY202100054;SY061051;FT-0618571;3-(4-FORMYLPHENYL)-2-PROPENOIC ACID;D87889;3-(4-Formylphenyl)acrylic Acid, Predominantly trans

Chemical Property of 2-Propenoic acid, 3-(4-formylphenyl)-

Chemical Property:

• Appearance/Colour: Light yellow to beige crystalline powder
• Vapor Pressure: 3.12E-06mmHg at 25°C
• Melting Point: 251-254 °C (dec.)(lit.)
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 373.2 °C at 760 mmHg
• PKA: 4.25±0.10(Predicted)
• Flash Point: 193.7 °C
• PSA: 54.37000
• Density: 1.288 g/cm³
• LogP: 1.59690
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 176.047344113
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-FormylcinnamicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)C=O
• Uses: 4-Formylcinnamic acid may be used in the synthesis of (E)-4-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)-ethynyl]-cinnamic acid.

Technology Process of 2-Propenoic acid, 3-(4-formylphenyl)-

There total 8 articles about 2-Propenoic acid, 3-(4-formylphenyl)- 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: 90.0%

cycl-isopropylidene malonate (2033-24-1) + terephthalaldehyde, (623-27-8) → 4-formylcinnamic acid (23359-08-2)

Guidance literature:

With hydroxy sulfonylurea; In neat (no solvent); at 110 ℃; for 0.166667h; Reagent/catalyst; Green chemistry;

DOI:10.1039/c5ra14001c

Reference yield: 88.0%

4-chlorobenzaldehyde (104-88-1) + acrylic acid (79-10-7) → 4-formylcinnamic acid (23359-08-2)

Guidance literature:

With tetrabutylammomium bromide; sodium carbonate; In water; at 90 ℃; for 20h; Green chemistry;

DOI:10.1039/c4ra14323j

Reference yield: 81.0%

4-bromo-benzaldehyde (1122-91-4) + acrylic acid (79-10-7) → 4-formylcinnamic acid (23359-08-2)

Guidance literature:

With tetrabutylammomium bromide; sodium carbonate; In water; at 90 ℃; for 15h;

DOI:10.1039/c4ra06868h

upstream raw materials:

pyridine

ethanol

malonic acid

terephthalaldehyde,

Downstream raw materials:

(E)-3-[4-(2,2-Dicyano-vinyl)-phenyl]-acrylic acid

methyl 3-(4-(hydroxymethyl)phenyl)propanoate

Refernces

• 1、 Putta, Chandrababu,Sharavath, Vittal,Sarkar, Suprabhat,Ghosh, Sutapa. "Palladium nanoparticles on β-cyclodextrin functionalised graphene nanosheets: A supramolecular based heterogeneous catalyst for C-C coupling reactions under green reaction conditions". . p. 6652 - 6660. Retrieved 2015/03/05.
• 2、 Sharavath, Vittal,Ghosh, Sutapa. "Palladium nanoparticles on noncovalently functionalized graphene-based heterogeneous catalyst for the Suzuki-Miyaura and Heck-Mizoroki reactions in water". . p. 48322 - 48330. Retrieved 2014/12/10.