Isophthalic acid, dipropyl ester

Base Information

• Chemical Name: Isophthalic acid, dipropyl ester
• CAS No.: 3143-06-4
• Molecular Formula: C14H18O4
• Molecular Weight: 250.295
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID50185351
• Nikkaji Number: J68.821E
• Wikidata: Q83056373
• Mol file: 3143-06-4.mol

Synonyms:Dipropyl isophthalate;ISOPHTHALIC ACID, DIPROPYL ESTER;Isophthalic acid dipropyl ester;3143-06-4;BRN 2121198;SCHEMBL111664;DTXSID50185351;AKOS024390899;LS-85241

Chemical Property of Isophthalic acid, dipropyl ester

Chemical Property:

• Vapor Pressure: 0.000298mmHg at 25°C
• Boiling Point: 321.4°Cat760mmHg
• Flash Point: 168.6°C
• PSA: 52.60000
• Density: 1.082g/cm³
• LogP: 2.82020
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 249

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=CC(=CC=C1)C(=O)OCCC

Technology Process of Isophthalic acid, dipropyl ester

There total 1 articles about Isophthalic acid, dipropyl 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:

→ dipropyl isophthalate (3143-06-4)

Guidance literature:

DOI:10.1002/jps.2600561115

Reference yield: 85.0%

dipropyl isophthalate (3143-06-4) → 5-nitro-isophthalic acid dipropyl ester

Guidance literature:

With iron(III) chloride; Nitrogen dioxide; ozone; In 1,2-dichloro-ethane; at 5 ℃; for 1.5h; Further Variations:; Reagents; Product distribution;

DOI:10.1021/jo015619d

Reference yield: 80.0%

dipropyl isophthalate (3143-06-4) → propyl 3-formylbenzoate

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminum hydride; disodium ethylenediamine tetraacetic acid; In toluene; at -65 ℃; Solvent; Inert atmosphere;

Downstream raw materials:

dimethyl Isophthalate