2-Hydroxy-5-isopropylbenzoic acid

Base Information

• Chemical Name: 2-Hydroxy-5-isopropylbenzoic acid
• CAS No.: 31589-71-6
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918290000
• European Community (EC) Number: 850-947-6
• ChEMBL ID: CHEMBL193949
• DSSTox Substance ID: DTXSID80501808
• Nikkaji Number: J1.655.363H
• Wikidata: Q82354424
• Mol file: 31589-71-6.mol

Synonyms:2-HYDROXY-5-ISOPROPYLBENZOIC ACID;31589-71-6;2-hydroxy-5-(propan-2-yl)benzoic acid;2-hydroxy-5-propan-2-ylbenzoic acid;CHEMBL193949;MFCD11203639;2-Hydroxy-5-isopropyl-benzoic acid;SCHEMBL1649282;DTXSID80501808;XAISONUNKQTASN-UHFFFAOYSA-N;AC7664;BDBM50475383;GS2887;AKOS005150606;MB09461;2-HYDROXY-5-ISOPROPYLBENZOICACID;2-Hydroxy-5-(1-methylethyl)benzoic acid;SY015690;CS-0450931;FT-0769668;EN300-61482;Z367679362

Chemical Property of 2-Hydroxy-5-isopropylbenzoic acid

Chemical Property:

• PSA: 57.53000
• LogP: 2.21380
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

2-Hydroxy-5-isopropylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Hydroxy-5-isopropylbenzoic acid

There total 7 articles about 2-Hydroxy-5-isopropylbenzoic 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:

2-methyl-4-isopropylphenol (1740-97-2) → 2-hydroxy-5-isopropylbenzoic acid (31589-71-6) + 4-hydroxyisophthalic acid (636-46-4)

Guidance literature:

beim Schmelzen;

Reference yield:

4-Isopropylphenol (99-89-8) + carbon dioxide (124-38-9,18923-20-1) → 2-hydroxy-5-isopropylbenzoic acid (31589-71-6)

Guidance literature:

4-Isopropylphenol; carbon dioxide; With potassium carbonate; at 150 ℃;

With hydrogenchloride; In water; ethyl acetate;

Reference yield:

2-hydroxy-5-isopropyl-benzoic acid methyl ester (87188-65-6) → 2-hydroxy-5-isopropylbenzoic acid (31589-71-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo01226a007

upstream raw materials:

2-methyl-4-isopropylphenol

2-hydroxy-5-isopropyl-benzoic acid methyl ester

sulfuric acid

isopropyl alcohol

Downstream raw materials:

4-Isopropylphenol

carbon dioxide

2-{3,5-difluoro-4-(1-methyl-3-phenyl-propylamino)-6-[3-(5-trifluoromethyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-pyridin-2-yloxy}-5-isopropyl-benzoic acid methyl ester

phenylmethyl 5-(1-methylethyl)-2-[(phenylmethyl)oxy]benzoate

Refernces

• 1、 -. "Compounds". Page/Page column 38. . Retrieved 2008/06/13.