Dimethyl 3-iodophthalate

Base Information

• Chemical Name: Dimethyl 3-iodophthalate
• CAS No.: 102928-38-1
• Molecular Formula: C10H9IO4
• Molecular Weight: 320.084
• Hs Code.: 2917399590
• DSSTox Substance ID: DTXSID50368107
• Nikkaji Number: J1.095.530K
• Wikidata: Q82154436
• Mol file: 102928-38-1.mol

Synonyms:DIMETHYL 3-IODOPHTHALATE;102928-38-1;dimethyl 3-iodobenzene-1,2-dicarboxylate;3-iodophthalic acid dimethyl ester;3-iodo-phthalic acid dimethyl ester;SCHEMBL1097335;DTXSID50368107;ULNMLTNBMOVVPA-UHFFFAOYSA-N;CEA92838;MFCD02710435;AS-9848;FT-0703634;SR-01000029803;SR-01000029803-1;Z56796499

Chemical Property of Dimethyl 3-iodophthalate

Chemical Property:

• Melting Point: 87 - 89°C
• PSA: 52.60000
• LogP: 1.86440
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• 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:

99% ^*data from raw suppliers

3-Iodo-1,2-benzenedicarboxylicAcid1,2-DimethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)I)C(=O)OC
• Uses: 3-Iodo-1,2-benzenedicarboxylic Acid 1,2-Dimethyl Ester was a useful compound for studying the dehydrogenative coupling of di-?Me phthalate.

Technology Process of Dimethyl 3-iodophthalate

There total 5 articles about Dimethyl 3-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: 91.0%

dimethyl 3-aminophthalate (34529-06-1) → dimethyl 3-iodophthalate (102928-38-1)

Guidance literature:

dimethyl 3-aminophthalate; With hydrogenchloride; sodium nitrite; at 0 - 5 ℃;

With potassium iodide;

DOI:10.1016/S0040-4039(01)02217-1

Reference yield:

dimethyl 3-nitrophthalate (13365-26-9) → dimethyl 3-iodophthalate (102928-38-1)

Guidance literature:

With ethanol; platinum; Umsetzen des Reaktionsprodukts mit NaNO₂ und H₂SO₄ und anschliessend mit wss. KI;

DOI:10.1021/jo01149a009

Reference yield:

3-nitrophthalic acid (603-11-2) → dimethyl 3-iodophthalate (102928-38-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: SOCl₂ / Heating

2.1: Heating

3.1: 100 percent / H₂ / Pd-C / methanol / 2844.31 Torr

4.1: NaNO₂; HCl / 0 - 5 °C

4.2: 91 percent / KI

With hydrogenchloride; thionyl chloride; hydrogen; sodium nitrite; palladium on activated charcoal; In methanol;

DOI:10.1016/S0040-4039(01)02217-1

upstream raw materials:

dimethyl 3-nitrophthalate

methyl iodide

dimethyl 3-aminophthalate

3-nitrophthalic acid

Downstream raw materials:

3-iodophthalic acid

3-(4-cyclohexylphenylamino)phthalic acid dimethyl ester

3,3',4,4'-biphenyltetracarboxylic acid tetramethyl ester

2,3,3',4'-biphenyltetracarboxylic acid tetramethyl ester

Refernces

• 1、 -. "4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME". . . Retrieved 2008/12/07.
• 2、 -. "User- and eco-friendly hypervalent iodine reagent and method of synthesis". Page 2; Sheet 1. . Retrieved 2010/02/05.