beta-(5-Methyl-2-furyl) acrylic acid

Base Information

• Chemical Name: beta-(5-Methyl-2-furyl) acrylic acid
• CAS No.: 14779-25-0
• Molecular Formula: C8H8 O3
• Molecular Weight: 152.15
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID601278159
• Mol file: 14779-25-0.mol

Synonyms:Enamine_004970;DTXSID601278159;beta-(5-methyl-2-furyl) acrylic acid;SB61828;3-(5-Methyl-2-furanyl)-2-propenoic acid;FT-0679332

Chemical Property of beta-(5-Methyl-2-furyl) acrylic acid

Chemical Property:

• Vapor Pressure: 0.00546mmHg at 25°C
• Boiling Point: 262.6°C at 760 mmHg
• Flash Point: 112.6°C
• PSA: 50.44000
• Density: 1.225g/cm³
• LogP: 1.68580
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

(2E)-3-(5-Methyl-2-furyl)acrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)C=CC(=O)O

Technology Process of beta-(5-Methyl-2-furyl) acrylic acid

There total 4 articles about beta-(5-Methyl-2-furyl) 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: 95.0%

5-Methylfurfural (620-02-0) + malonic acid (141-82-2) → 3-(5-methylfuran-2-yl) acrylic acid (14779-25-0)

Guidance literature:

With piperidine; pyridine; at 100 ℃; for 13h;

DOI:10.1021/ja408814g

Reference yield: 95.0%

→ 3-(5-methylfuran-2-yl) acrylic acid (14779-25-0)

Guidance literature:

With piperidine; In pyridine; at 100 ℃; for 13h; Reflux;

Reference yield:

5-Methylfurfural (620-02-0) → 3-(5-methylfuran-2-yl) acrylic acid (14779-25-0) + 19-norethisterone ester

Guidance literature:

With pyridine; hydrogenchloride; malonic acid;

upstream raw materials:

5-Methylfurfural

acetic anhydride

malonic acid

Downstream raw materials:

2-ethenyl-5-methylfuran

C₂₉H₂₇NO₇

C₂₉H₂₇NO₆S

Octanoic acid

Refernces

• 1、 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.
• 2、 Sarwar, Sidra,Iftikhar, Tuba,Rauf, Muhammad Khawar,Badshah, Amin,Waseem, Durdana,Tahir, Muhammad Nawaz,Khan, Khalid Mohammed,Khan, Gul Majid. "Synthesis of heteroleptic pentavalent antimonials bearing heterocyclic cinnamate moieties and their biological studies". . p. 12 - 19. Retrieved 2018/02/23.