2-Propenoic acid, 3-(3-furanyl)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-(3-furanyl)-
• CAS No.: 39244-10-5
• Molecular Formula: C7H6 O3
• Molecular Weight: 138.123
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID501315748
• Mol file: 39244-10-5.mol

Synonyms:3-furanacrylic acid;2-Propenoic acid, 3-(3-furanyl)-;(E)-Furan-3-acrylic Acid;3-(furan-3-yl)prop-2-enoic acid;DTXSID501315748;SB60989;SB61100;SY278590;FT-0613615;FT-0690276

Chemical Property of 2-Propenoic acid, 3-(3-furanyl)-

Chemical Property:

• Vapor Pressure: 0.00587mmHg at 25°C
• Melting Point: 155-158 °C(lit.)
• Boiling Point: 261.4°Cat760mmHg
• PKA: 4.20±0.10(Predicted)
• Flash Point: 111.9°C
• PSA: 50.44000
• Density: 1.28g/cm³
• LogP: 1.37740
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Methanol
• Water Solubility.: Sparingly soluble in water (0.56 g/L at 25°C).
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 138.031694049
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-Furyl)acrylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC=C1C=CC(=O)O
• Uses: 3-(3-Furyl)acrylic acid is used as an intermediate in chemical research and pharmaceuticals.

Technology Process of 2-Propenoic acid, 3-(3-furanyl)-

There total 14 articles about 2-Propenoic acid, 3-(3-furanyl)- 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: 96.0%

furan-3-carboxaldehyde (498-60-2) + malonic acid (141-82-2) → (E)-3-furan-3-yl-acrylic acid (39244-10-5,81311-95-7)

Guidance literature:

With pyridine; at 90 ℃; for 2h;

DOI:10.1039/c0ob00487a

Reference yield: 91.0%

trans-3-furan-3-yl-acrylic acid ethyl ester (58963-70-5) → (E)-3-furan-3-yl-acrylic acid (39244-10-5,81311-95-7)

Guidance literature:

With potassium hydroxide; for 4h; Heating;

DOI:10.1002/chem.200501034

Reference yield: 82.0%

furan-3-carboxaldehyde (498-60-2) + malonic acid (141-82-2) → 3-(furan-3-yl)prop-2-enoic acid (39244-10-5)

Guidance literature:

With pyridine; at 80 - 90 ℃; for 2h;

DOI:10.1248/cpb.57.34

upstream raw materials:

furan-3-carboxaldehyde

malonic acid

3-Furoic acid

furan-3-carbonyl chloride

Downstream raw materials:

furo<2,3-c>pyridin-7(6H)-one

(E)-phenyl 3-(furan-3-yl)acrylate

4''-methoxyphenyl (E)-3-(3'-furyl)propenoate

Refernces

• 1、 Shizuri, Yoshikazu,Ojika, Makoto,Yamada, Kiyoyuki. "STRUCTURE OF AN ANTITUMOR ANTIBIOTIC, REDUCTIOMYCIN". . p. 4291 - 4294. Retrieved 1981.
• 2、 Ma, Jinjin,Chen, Lan,Fan, Jinbao,Cao, Wei,Zeng, Guangyao,Wang, Yajing,Li, Yuanjian,Zhou, Yingjun,Deng, Xu. "Dual-targeting Rutaecarpine-NO donor hybrids as novel anti-hypertensive agents by promoting release of CGRP". supporting information. p. 146 - 153. Retrieved 2019/02/27.
• 3、 Lad, Nitin P.,Kulkarni, Sarang,Sharma, Rajiv,Mascarenhas, Malcolm,Kulkarni, Mahesh R.,Pandit, Shivaji S.. "Piperlongumine derived cyclic sulfonamides (sultams): Synthesis and in?vitro exploration for therapeutic potential against HeLa cancer cell lines". . p. 870 - 878. Retrieved 2016/12/18.