3,5-Diisopropylsalicylic acid

Base Information

• Chemical Name: 3,5-Diisopropylsalicylic acid
• CAS No.: 2215-21-6
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• Hs Code.: 29182900
• European Community (EC) Number: 218-677-8
• UNII: XH5ERW6DGJ
• DSSTox Substance ID: DTXSID1062257
• Nikkaji Number: J236.470K
• Wikidata: Q81989940
• Mol file: 2215-21-6.mol

Synonyms:3,5-diisoprophylsalicylate;3,5-diisopropylsalicylic acid;3,5-diisopropylsalicylic acid, sodium salt;DIPS

Chemical Property of 3,5-Diisopropylsalicylic acid

Chemical Property:

• Appearance/Colour: beige to grey crystalline powder
• Vapor Pressure: 0.0001mmHg at 25°C
• Melting Point: 113-115 °C(lit.)
• Refractive Index: 1.4740 (estimate)
• Boiling Point: 324.5 °C at 760 mmHg
• PKA: 3.21±0.14(Predicted)
• Flash Point: 164.3 °C
• PSA: 57.53000
• Density: 1.108 g/cm³
• LogP: 3.33720
• Storage Temp.: 4°C
• Solubility.: Soluble in organic solvents.
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

3,5-DiisopropylsalicylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37
• Safety Statements: 22-26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C
• Uses: 3,5-Diisopropylsalicylic acid is used to prepare 2,4-Diisopropyl-phenol at 200°C. It is also used as a starting reagent in the synthesis of Zn(II) and Cd(II) carboxylate complexes. It plays the role of OH-inactivating ligand in its complexes with copper(II)2. 3,5-Diisopropyl-2-hydroxybenzoic acid was used as starting reagent in the synthesis of Zn(II) and Cd(II) carboxylate complexes.

Technology Process of 3,5-Diisopropylsalicylic acid

There total 3 articles about 3,5-Diisopropylsalicylic acid 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: 40.0%

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 3,5-diisopropylsalicylic acid (2215-21-6)

Guidance literature:

sulfuric acid; In isopropyl alcohol;

Reference yield:

isopropyl alcohol (67-63-0,8013-70-5) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → 3,5-diisopropylsalicylic acid (2215-21-6)

Guidance literature:

With sulfuric acid;

Reference yield:

→ 3,5-diisopropylsalicylic acid (2215-21-6)

Guidance literature:

aus Salicylsaeure, Propanol-(2) u. 80percentig.wss.H2SO4, 70grad;

DOI:10.1002/jps.2600510408

upstream raw materials:

isopropyl alcohol

salicylic acid

Downstream raw materials:

2,4-diisopropylphenol

2-hydroxy-3,5-diisopropyl-benzoic acid methyl ester

3,5-di-iso-propylacetylsalicylic acid

4-carbomethoxyphenyl 3,5-diisopropylsalicylate