4-Iodobenzoate

Base Information

• Chemical Name: 4-Iodobenzoate
• CAS No.: 5377-71-9
• Molecular Formula: C7H4IO2-
• Molecular Weight: 247.012
• Nikkaji Number: J1.669.224G
• Mol file: 5377-71-9.mol

Synonyms:4-iodobenzoate;5377-71-9;p-Iodobenzoic acid ion(1-);Benzoic acid, p-iodo-, ion(1-);sodium 4-iodobenzoate;CHEMBL1762654;p-iodobenzoate;pI-benzoate anion;CHEBI:188473;GHICCUXQJBDNRN-UHFFFAOYSA-M;4-Iodobenzoic acid;BDBM50340072;A833506

Chemical Property of 4-Iodobenzoate

Chemical Property:

• PSA: 40.13000
• LogP: 0.65470
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 246.92560
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])I

Technology Process of 4-Iodobenzoate

There total 1 articles about 4-Iodobenzoate 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:

4-iodobenzoic acid (619-58-9) → 4-iodobenzoate (5377-71-9)

Guidance literature:

In methanol; Equilibrium constant; equilibrium constant for dissociation; also in ethylene glycol;

DOI:10.1021/j100051a014

Reference yield: 100.0%

4-iodobenzoate (5377-71-9) + Tetradec-13-ynoic acid anion → C21H26O4(2-)

Guidance literature:

With copper(l) iodide; triethylamine; Pd catalyst; In water; acetonitrile; at 35 ℃; for 0.25h;

DOI:10.1016/S0040-4039(97)10674-8

Reference yield: 100.0%

propiolate (44196-71-6) + 4-iodobenzoate (5377-71-9) → C10H4O4(2-)

Guidance literature:

With copper(l) iodide; triethylamine; Pd catalyst; In water; acetonitrile; at 35 ℃; for 0.833333h; Product distribution; cross coupling with terminal alkynes; catalyst varied; also with enzyme RNAse A; reaction rate;

DOI:10.1016/S0040-4039(97)10674-8

upstream raw materials:

4-iodobenzoic acid

Downstream raw materials:

4-iodobenzoic acid

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