2-Hydroxy-4-methylbenzophenone

Base Information

• Chemical Name: 2-Hydroxy-4-methylbenzophenone
• CAS No.: 3098-18-8
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 2914400090
• European Community (EC) Number: 834-068-5
• DSSTox Substance ID: DTXSID00184970
• Nikkaji Number: J1.026.006J
• Mol file: 3098-18-8.mol

Synonyms:3098-18-8;2-HYDROXY-4-METHYLBENZOPHENONE;(2-hydroxy-4-methylphenyl)-phenylmethanone;(2-hydroxy-4-methylphenyl)(phenyl)methanone;Benzophenone, 2-hydroxy-4-methyl-;Methanone, (2-hydroxy-4-methylphenyl)phenyl-;2-benzoyl-5-methylphenol;Oprea1_163333;SCHEMBL1263258;DTXSID00184970;Benzophenone, 2-hydroxy-4-methyl-,;MFCD01099035;AKOS024306996;AS-66209;2-Hydroxy-4-methylbenzophenone, AldrichCPR;FT-0634667;H1575;(2-hydroxy-4-methyl-phenyl)-phenyl-methanone;D91048;A820676;AE-562/12222649

Chemical Property of 2-Hydroxy-4-methylbenzophenone

Chemical Property:

• Vapor Pressure: 3.1E-05mmHg at 25°C
• Melting Point: 62-65 °C
• Refractive Index: 1.604
• Boiling Point: 345.4 °C at 760 mmHg
• PKA: 8.05±0.35(Predicted)
• Flash Point: 147.1 °C
• PSA: 37.30000
• Density: 1.164 g/cm³
• LogP: 2.93160
• Solubility.: soluble in Methanol
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Hydroxy-4-methylbenzophenone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-4-methylbenzophenone

There total 34 articles about 2-Hydroxy-4-methylbenzophenone 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: 86.0%

3-methyl-phenol (108-39-4) + benzoic acid (65-85-0,8013-63-6) → 2-hydroxy-4-methylbenzophenone (3098-18-8)

Guidance literature:

With aluminum oxide; methanesulfonic acid; at 140 ℃; for 0.166667h;

Reference yield: 82.0%

4-methylsalicylaldehyde (698-27-1) + phenylboronic acid (98-80-6) → 2-hydroxy-4-methylbenzophenone (3098-18-8)

Guidance literature:

With pyridine; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(I) bromide; In tert-Amyl alcohol; at 130 ℃; for 12h; chemoselective reaction; Sealed tube;

DOI:10.1002/chem.202004810

Reference yield: 79.0%

N-(m-tolyloxy)acetamide (1443440-55-8) + Benzoylformic acid (611-73-4) → 2-hydroxy-4-methylbenzophenone (3098-18-8)

Guidance literature:

With dipotassium peroxodisulfate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; silver carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Sealed tube;

DOI:10.1002/ejoc.201900242

upstream raw materials:

3-methylphenyl benzoate

2-methoxy-4-methyl-benzophenone

2-amino-4-methylbenzophenone

3-methyl-phenol

Downstream raw materials:

3-methylphenyl benzoate

4-hydroxy-2-methylbenzophenone

(2-hydroxy-4-methylphenyl)(phenyl)methanone benzoate

4-hydroxy-2-methylbenzophenone benzoate

Refernces

• 1、 Bera, Suvankar,Chandrasekhar,Chatterjee, Satadru,Killi, Sunil Kumar,Sarkar, Debabrata,Banerji, Biswadip. "RhIII-Catalyzed Decarboxylative o-Acylation of Arenes Bearing an Oxidizing Directing Group". supporting information. p. 3877 - 3881. Retrieved 2019/06/28.
• 2、 Tran, Phuong Hoang,Phung, Huy Quang,Duong, Minh Nhat,Pham-Tran, Nguyen-Nguyen. "Efficient microwave-assisted direct C-benzoylation of phenols and naphthols with benzoic acid catalyzed by bismuth triflate under solvent-free or ionic liquid conditions". supporting information. p. 1558 - 1563. Retrieved 2017/04/03.