3-Iodo-4-methoxybenzoic acid

Base Information

• Chemical Name: 3-Iodo-4-methoxybenzoic acid
• CAS No.: 68507-19-7
• Molecular Formula: C8H7IO3
• Molecular Weight: 278.046
• Hs Code.: 29189900
• Mol file: 68507-19-7.mol

Synonyms:p-Anisicacid, 3-iodo- (7CI);3-Iodo-4-methoxybenzoic acid;3-Iodo-p-anisic acid;

Chemical Property of 3-Iodo-4-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 8.3E-06mmHg at 25°C
• Melting Point: 245-248°C
• Refractive Index: 1.631
• Boiling Point: 359.9 °C at 760 mmHg
• PKA: 4.12±0.10(Predicted)
• Flash Point: 171.5 °C
• PSA: 46.53000
• Density: 1.878 g/cm³
• LogP: 1.99800
• Storage Temp.: Room temperature.
• Sensitive.: Light Sensitive

Purity/Quality:

99% ^*data from raw suppliers

3-Iodo-4-methoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Iodo-4-methoxybenzoic acid

There total 16 articles about 3-Iodo-4-methoxybenzoic 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: 100.0%

3-iodo-4-methoxy-benzoic acid methyl ester (35387-93-0) → 3-iodo-4-methoxybenzoic acid (68507-19-7)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 8h;

DOI:10.1021/jo702191a

Reference yield: 97.0%

4-methoxybenzoic acid (100-09-4) → 3-iodo-4-methoxybenzoic acid (68507-19-7)

Guidance literature:

With indium(III) triflate; N-iodo-succinimide; In acetonitrile; at 23 ℃; for 36h; Inert atmosphere; Darkness;

DOI:10.1021/ol100587j

Reference yield: 88.0%

4-methoxybenzoic acid (100-09-4) → 2,4-diiodoanisole (28896-47-1) + 3-iodo-4-methoxybenzoic acid (68507-19-7)

Guidance literature:

With [bis(acetoxy)iodo]benzene; lithium iodide; In 1,1,1,3,3,3-hexafluoroisopropanol; at 20 ℃; for 3h;

DOI:10.1055/s-0030-1260791

upstream raw materials:

2-iodo-4-methylanisole

3-iodo-4-methoxy-benzoic acid anilide

4-methoxy-benzaldehyde

4-methoxybenzoic acid

Downstream raw materials:

3-iodo-4-methoxy-N-(4-(pyrrolidin-1-ylsulfonyl)phenyl)benzamide

Refernces

• 1、 Leboeuf, David,Ciesielski, Jennifer,Frontier, Alison J.. "Gold(I)-catalyzed iodination of arenes". supporting information. p. 399 - 402. Retrieved 2014/03/21.
• 2、 Hamamoto, Hiromi,Hattori, Sho,Takemaru, Kaori,Miki, Yasuyoshi. "Hypervalent iodine(III)-LiX combination in fluoroalcohol solvent for aromatic halogenation of electron-rich arenecarboxylic acids". scheme or table. p. 1563 - 1566. Retrieved 2011/08/03.