(e)-Methyl 3-(3-fluorophenyl)acrylate

Base Information

• Chemical Name: (e)-Methyl 3-(3-fluorophenyl)acrylate
• CAS No.: 74325-03-4
• Molecular Formula: C10H9FO2
• Molecular Weight: 180.179
• Hs Code.: 2916399090
• European Community (EC) Number: 813-380-5
• Nikkaji Number: J2.595.072K,J955.568D
• Wikidata: Q76423185
• Mol file: 74325-03-4.mol

Synonyms:74325-03-4;(e)-methyl 3-(3-fluorophenyl)acrylate;methyl (e)-3-fluorocinnamate;methyl (2E)-3-(3-fluorophenyl)prop-2-enoate;methyl (E)-3-(3-fluorophenyl)prop-2-enoate;METHYL(E)-3-FLUOROCINNAMATE;Methyl 3-fluorocinnamate;Methyl 3-(3-fluorophenyl)acrylate;methyl 3-(3-fluorophenyl)prop-2-enoate;methyl trans-3-fluorocinnamate;SCHEMBL1431912;SCHEMBL1431915;FLDMXKIURVHYKV-AATRIKPKSA-N;MFCD07784271;AKOS006229949;PS-6535;methyl (E)-3-(3-fluorophenyl)acrylate;trans-3-fluorocinnamic acid methyl ester;methyl(2E)-3-(3-fluorophenyl)-2-propenoate;EN300-263231;EN300-364798;W12104;3-(3-fluorophenyl)-2-propenoic acid methyl ester;A838093

Chemical Property of (e)-Methyl 3-(3-fluorophenyl)acrylate

Chemical Property:

• Vapor Pressure: 0.02mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 251.738 °C at 760 mmHg
• Flash Point: 102.979 °C
• PSA: 26.30000
• Density: 1.165 g/cm³
• LogP: 2.01190
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.05865769
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Methyl(E)-3-fluorocinnamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=CC1=CC(=CC=C1)F
• Isomeric SMILES: COC(=O)/C=C/C1=CC(=CC=C1)F

Technology Process of (e)-Methyl 3-(3-fluorophenyl)acrylate

There total 9 articles about (e)-Methyl 3-(3-fluorophenyl)acrylate 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: 99.0%

methanol (67-56-1) + 3-Fluorocinnamic acid (20595-30-6) → methyl (E)-m-fluorocinnamate (74325-03-4)

Guidance literature:

With sulfuric acid; at 0 ℃; Reflux; Inert atmosphere;

Reference yield: 97.0%

3-Fluorocinnamic acid (20595-30-6) + methyl iodide (74-88-4) → methyl (E)-m-fluorocinnamate (74325-03-4)

Guidance literature:

With caesium carbonate; In acetone; at 65 ℃; for 1.5h;

DOI:10.1021/jm901559e

Reference yield: 95.0%

→ methyl (E)-m-fluorocinnamate (74325-03-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere;

upstream raw materials:

methanol

3-Fluorocinnamic acid

1-Fluoro-3-iodobenzene

acrylic acid methyl ester

Downstream raw materials:

methyl 2,3-dibromo-3-(3-fluorophenyl)propanoate

(E)-3-(3-fluorophenyl)prop-2-en-1-ol

2-[(4-{[(2E)-3-(3-fluorophenyl)-2-propen-1-yl]amino}-1-piperidinyl)methyl]-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione

(E)-3-(3-fluorophenyl)acrylaldehyde

Refernces

• 1、 Tan, Liang,Zhou, Qingtong,Yan, Wenzhong,Sun, Jian,Kozikowski, Alan P.,Zhao, Suwen,Huang, Xi-Ping,Cheng, Jianjun. "Design and synthesis of bitopic 2-phenylcyclopropylmethylamine (pcpma) derivatives as selective dopamine d3 receptor ligands". . p. 4579 - 4602. Retrieved 2020/06/08.
• 2、 -. "SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND". Paragraph 1036-1038. . Retrieved 2017/09/12.