Dimethyl 4-iodophthalate

Base Information

• Chemical Name: Dimethyl 4-iodophthalate
• CAS No.: 59340-47-5
• Molecular Formula: C10H9 I O4
• Molecular Weight: 320.084
• European Community (EC) Number: 261-711-1
• UNII: GD4CGS6A74
• DSSTox Substance ID: DTXSID70208091
• Nikkaji Number: J308.668B
• Wikidata: Q83082180
• Mol file: 59340-47-5.mol

Synonyms:Dimethyl 4-iodophthalate;59340-47-5;dimethyl 4-iodobenzene-1,2-dicarboxylate;1,2-Benzenedicarboxylic acid, 4-iodo-, 1,2-dimethyl ester;EINECS 261-711-1;MFCD02690053;1,2-BENZENEDICARBOXYLIC ACID,4-IODO-,1,2-DIMETHYL ESTER;GD4CGS6A74;SCHEMBL15326189;DTXSID70208091;4-Iodophthalic acid dimethyl ester;C10-H9-I-O4;AC6425;AKOS017268848;AS-77077;SY058078;CS-0454037;A923329;SR-01000025225;SR-01000025225-1;Z56755985;1,2-Benzenedicarboxylic acid, 4-iodo-, dimethyl ester

Chemical Property of Dimethyl 4-iodophthalate

Chemical Property:

• Vapor Pressure: 0.000166mmHg at 25°C
• Boiling Point: 330.4°C at 760 mmHg
• Flash Point: 153.6°C
• Density: 1.708g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 319.95456
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

98%Min ^*data from raw suppliers

1,2-BENZENEDICARBOXYLICACID,4-IODO-,1,2-DIMETHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)I)C(=O)OC

Technology Process of Dimethyl 4-iodophthalate

There total 4 articles about Dimethyl 4-iodophthalate 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: 80.0%

4-amino-phthalic acid dimethyl ester (51832-31-6) → dimethyl 4-iodophthalate (59340-47-5)

Guidance literature:

4-amino-phthalic acid dimethyl ester; With hydrogenchloride; In water; at 20 ℃; for 1h;

With sodium nitrite; In water; at -10 - 5 ℃; for 0.5h;

With potassium iodide; In water; for 0.5h;

Reference yield:

dimethyl 4-nitrophthalate (610-22-0) → dimethyl 4-iodophthalate (59340-47-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: palladium on activated charcoal; hydrogen / methanol / 24 h / 20 °C / Inert atmosphere

2.1: hydrogenchloride / water / 1 h / 20 °C

2.2: 0.5 h / -10 - 5 °C

2.3: 0.5 h

With hydrogenchloride; palladium on activated charcoal; hydrogen; In methanol; water;

Reference yield:

4-nitrophthalate → dimethyl 4-iodophthalate (59340-47-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: thionyl chloride / 16 h / Cooling with ice; Reflux

2.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C

3.1: iodine / acetonitrile; toluene / 0.25 h / 0 °C

3.2: 26 h / 0 - 20 °C

With thionyl chloride; palladium 10% on activated carbon; hydrogen; iodine; In methanol; toluene; acetonitrile;

DOI:10.1021/acschemneuro.0c00003

upstream raw materials:

methanol

4-iodophthalic acid

dimethyl 4-nitrophthalate

4-amino-phthalic acid dimethyl ester

Downstream raw materials:

1,7-Bis-<3,4-dimethoxycarbonyl-phenyl>-perfluorheptan

4,4'-biphthalic acid

3,3',4,4'-biphenyltetracarboxylic anhydride

PTPDA

Refernces

• 1、 -. "NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS". . . Retrieved 2013/10/22.