2-Iodocinnamic acid

Base Information

• Chemical Name: 2-Iodocinnamic acid
• CAS No.: 90276-19-0
• Molecular Formula: C9H7IO2
• Molecular Weight: 274.058
• European Community (EC) Number: 807-199-0
• Nikkaji Number: J3.055.003J
• Mol file: 90276-19-0.mol

Synonyms:2-Iodocinnamic acid;(2E)-3-(2-iodophenyl)prop-2-enoic acid;1643-34-1;90276-19-0;(E)-3-(2-iodophenyl)prop-2-enoic acid;3-(2-Iodophenyl)acrylic acid;2-Propenoic acid, 3-(2-iodophenyl)-, (E)-;2-Iodo-cinnamic acid;2-Iodobenzeneacrylic acid;SCHEMBL557026;SBCFNNJYIXFMFS-AATRIKPKSA-N;AKOS024255688;2-Propenoic acid, 3-(2-iodophenyl)-(E)-;(2E)-3-(2-Iodophenyl)-2-propenoic acid #

Chemical Property of 2-Iodocinnamic acid

Chemical Property:

• Vapor Pressure: 8.05E-06mmHg at 25°C
• Boiling Point: 360.3°Cat760mmHg
• Flash Point: 171.7°C
• Density: 1.862g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 273.94908
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)I
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)I

Technology Process of 2-Iodocinnamic acid

There total 13 articles about 2-Iodocinnamic 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: 90.0%

→ (E)-3-(2-Iodophenyl)propenoic acid (90276-19-0)

Guidance literature:

With piperidine; pyridine; at 20 ℃; Inert atmosphere;

Reference yield: 88.0%

malonic acid (141-82-2) + 2-iodobenzaldehyde (26260-02-6) → (E)-3-(2-Iodophenyl)propenoic acid (90276-19-0)

Guidance literature:

With piperidine; pyridine; for 16h; Heating;

DOI:10.1021/jo048698c

Reference yield:

(2-iodo-benzylidene)-malonic acid (121263-09-0) + water (7732-18-5) → malonic acid (141-82-2) + carbon dioxide (124-38-9,18923-20-1) + 2-iodobenzaldehyde (26260-02-6) + (E)-3-(2-Iodophenyl)propenoic acid (90276-19-0)

Guidance literature:

upstream raw materials:

2-iodobenzaldehyde

sodium acetate

2-iodophenylamine

2-amino-cinnamic acid

Downstream raw materials:

ethyl (E)-3-(2-iodophenyl)-2-propenoate

3-(2-iodophenyl)propanoic acid

2-Oxo-1(2H)-chinolinessigsaeure

2-iodo-cinnamoyl chloride