2-Iodobenzoic acid 2,3-dihydroxypropyl ester

Base Information

• Chemical Name: 2-Iodobenzoic acid 2,3-dihydroxypropyl ester
• CAS No.: 51928-81-5
• Molecular Formula: C10H11IO4
• Molecular Weight: 322.099
• DSSTox Substance ID: DTXSID20966250
• Mol file: 51928-81-5.mol

Synonyms:2-Iodobenzoic acid 2,3-dihydroxypropyl ester;BRN 2115798;2-(beta,gamma-Dihydroxypropoxycarbonyl)iodobenzene;BENZOIC ACID, 2-IODO-, 2,3-DIHYDROXYPROPYL ESTER;51928-81-5;2,3-dihydroxypropyl 2-iodobenzoate;SCHEMBL11335975;DTXSID20966250;LS-37720

Chemical Property of 2-Iodobenzoic acid 2,3-dihydroxypropyl ester

Chemical Property:

• Vapor Pressure: 8.05E-09mmHg at 25°C
• Boiling Point: 448.3°Cat760mmHg
• Flash Point: 224.9°C
• Density: 1.811g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 321.97021
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)OCC(CO)O)I

Technology Process of 2-Iodobenzoic acid 2,3-dihydroxypropyl ester

There total 3 articles about 2-Iodobenzoic acid 2,3-dihydroxypropyl ester 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%

2-Iodo-benzoic acid 2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester (51928-84-8) → glyceryl-o-iodobenzoate (51928-81-5)

Guidance literature:

With sulfuric acid; In ethanol; water; 1) 25 deg C, 20 h; 2) reflux, 1 h;

DOI:10.1016/S0040-4039(00)96681-4

Reference yield:

2-Iodobenzoic acid (88-67-5) → glyceryl-o-iodobenzoate (51928-81-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / dicyclohexyl carbodiimide / 4-dimethylaminopyridine / CH₂Cl₂ / 20 h / 25 °C

2: 90 percent / 2N H₂SO₄ / ethanol; H₂O / 1) 25 deg C, 20 h; 2) reflux, 1 h

With sulfuric acid; dicyclohexyl-carbodiimide; dmap; In ethanol; dichloromethane; water;

DOI:10.1016/S0040-4039(00)96681-4

Reference yield:

→ glyceryl-o-iodobenzoate (51928-81-5)

Guidance literature:

o-Iodbenzoesaeure, 1-Chlor-2,3-propandiol, BaCO3;

upstream raw materials:

2-Iodo-benzoic acid 2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester

2-Iodobenzoic acid

Downstream raw materials:

2-Iodo-benzoic acid 2,3-bis-octanoyloxy-propyl ester

2-Iodo-benzoic acid 2,3-bis-hexadecanoyloxy-propyl ester