2-hydroxy-5-(4-methylphenyl)benzoic Acid

Base Information

• Chemical Name: 2-hydroxy-5-(4-methylphenyl)benzoic Acid
• CAS No.: 43029-70-5
• Molecular Formula: C14H12 O3
• Molecular Weight: 228.24
• Hs Code.: 2918199090
• ChEMBL ID: CHEMBL3126312
• DSSTox Substance ID: DTXSID90404896
• Nikkaji Number: J2.176.059E
• Wikidata: Q82209240
• Mol file: 43029-70-5.mol

Synonyms:43029-70-5;2-hydroxy-5-(4-methylphenyl)benzoic Acid;4-Hydroxy-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid;4-hydroxy-4'-methyl[1,1'-biphenyl]-3-carboxylic acid;CHEMBL3126312;4-hydroxy-4'-methylbiphenyl-3-carboxylic acid;4-Hydroxy-4'-methyl-biphenyl-3-carboxylic acid;SCHEMBL4967083;DTXSID90404896;JLOYUQAJKMNTAU-UHFFFAOYSA-N;BDBM50449348;MFCD00434467;AKOS004119236;AS-2780;BB 0222382;CS-0366747;FT-0705391;A1-67858;4-Hydroxy-4'-methyl-[1,1'-biphenyl]-3-carboxylicacid

Chemical Property of 2-hydroxy-5-(4-methylphenyl)benzoic Acid

Chemical Property:

• Boiling Point: 412.9°Cat760mmHg
• Flash Point: 217.7°C
• PSA: 57.53000
• Density: 1.254g/cm³
• LogP: 3.06580
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

98%Min ^*data from raw suppliers

2-Hydroxy-5-(4-methylphenyl)benzoic acid >95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC(=C(C=C2)O)C(=O)O

Technology Process of 2-hydroxy-5-(4-methylphenyl)benzoic Acid

There total 3 articles about 2-hydroxy-5-(4-methylphenyl)benzoic 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: 99.0%

5-bromosalicyclic acid (89-55-4) + 4-methylphenylboronic acid (5720-05-8) → 5-(4-tolyl)salicylic acid (43029-70-5)

Guidance literature:

With 2C₂H₅NO₂*Pd⁽²⁺⁾*2Cl^(1-); potassium carbonate; In water; at 20 ℃; for 6h; Green chemistry;

DOI:10.1039/c3ob42517g

Reference yield: 45.0%

5-chloro-2-hydroxybenzoic acid (321-14-2) + 4-methylphenylboronic acid (5720-05-8) → 5-(4-tolyl)salicylic acid (43029-70-5)

Guidance literature:

With potassium phosphate; 2-(dicyclohexylphosphino)biphenyl based D-gluconamide; palladium diacetate; In water; at 80 ℃; for 16h;

DOI:10.1016/S0040-4020(02)00576-8

Reference yield:

5-bromosalicyclic acid (89-55-4) + sodium tetrakis(4-tolyl)borate (15738-23-5) → 5-(4-tolyl)salicylic acid (43029-70-5)

Guidance literature:

With sodium carbonate; palladium on activated charcoal; In water; for 1h; Heating;

DOI:10.1016/j.tetlet.2005.04.022

upstream raw materials:

5-chloro-2-hydroxybenzoic acid

4-methylphenylboronic acid

5-bromosalicyclic acid

sodium tetrakis(4-tolyl)borate

Refernces

• 1、 Liu, Shiwen,Lv, Meiyun,Xiao, Daoan,Li, Xiaogang,Zhou, Xiuling,Guo, Mengping. "A highly efficient catalyst of a nitrogen-based ligand for the Suzuki coupling reaction at room temperature under air in neat water". supporting information. p. 4511 - 4516. Retrieved 2014/06/23.
• 2、 Nishimura, Masato,Ueda, Masato,Miyaura, Norio. "Palladium-catalyzed biaryl-coupling reaction of arylboronic acids in water using hydrophilic phosphine ligands". . p. 5779 - 5787. Retrieved 2007/10/03.