3-(2-Fluorophenyl)acrylic acid

Base Information

• Chemical Name: 3-(2-Fluorophenyl)acrylic acid
• CAS No.: 451-69-4
• Molecular Formula: C9H7FO2
• Molecular Weight: 166.152
• Hs Code.: 29163990
• Mol file: 451-69-4.mol

Synonyms:3-(2-Fluorophenyl)acrylic acid;3-(2-fluorophenyl)prop-2-enoic acid;2-Propenoic acid, 3-(fluorophenyl)-;EINECS 242-697-6;6-fluorocinnamic acid;2-fluoro-cinnamic acid;NCIOpen2_000622;AKOS025243336;SY009527;FT-0612429

Chemical Property of 3-(2-Fluorophenyl)acrylic acid

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 0.00167mmHg at 25°C
• Melting Point: 179-183 °C
• Boiling Point: 281.6 °C at 760 mmHg
• PKA: 4.31±0.10(Predicted)
• Flash Point: 124.1 °C
• PSA: 37.30000
• Density: 1.285 g/cm³
• LogP: 1.92350
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.04300762
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

2-Fluorocinnamic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 37/39-26-45-36/37/39-27-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)F
• Uses: 2-Fluorocinnamic acid was used in the synthesis of acrylamide.

Technology Process of 3-(2-Fluorophenyl)acrylic acid

There total 5 articles about 3-(2-Fluorophenyl)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:

malonic acid (141-82-2) + 2-Fluorobenzaldehyde (446-52-6) → 2-fluorocinnamic acid (451-69-4)

Guidance literature:

DOI:10.1271/bbb.65.161

Reference yield:

ethyl 3-(2-fluorophenyl)propenoate (348-13-0) → 2-fluorocinnamic acid (451-69-4)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1002/jhet.4264

Reference yield:

acetic anhydride (108-24-7) + 2-Fluorobenzaldehyde (446-52-6) → 2-fluorocinnamic acid (451-69-4)

Guidance literature:

With sodium acetate; for 12h; Heating;

upstream raw materials:

2-amino-cinnamic acid

acetic anhydride

2-Fluorobenzaldehyde

malonic acid

Downstream raw materials:

2,3-Dichlor-4-fluor-benzo--thiophen-2-carbonsaeurechlorid

C₃₀H₃₅FN₄O₂

(S)-2-fluorophenylalanine

(R)-2'-fluorophenylalanine

Refernces

• 1、 Gong, Zhaotang,Liu, Guoyun,Mu, Wenwen,Wang, Ziqing,Yang, Jie. "Meta-substituted piperlongumine derivatives attenuate inflammation in both RAW264.7 macrophages and a mouse model of colitis". . . Retrieved 2021/11/16.
• 2、 Ghafari, Shahrzad,Ranjbar, Sara,Larijani, Bagher,Amini, Mohsen,Biglar, Mahmood,Mahdavi, Mohammad,Bakhshaei, Maryam,Khoshneviszadeh, Mahsima,Sakhteman, Amirhossein,Khoshneviszadeh, Mehdi. "Novel morpholine containing cinnamoyl amides as potent tyrosinase inhibitors". . p. 978 - 985. Retrieved 2019/06/13.