2,3-Dimethylphenol

Base Information

• Chemical Name: 2,3-Dimethylphenol
• CAS No.: 526-75-0
• Molecular Formula: C8H10O
• Molecular Weight: 122.167
• European Community (EC) Number: 208-395-3,215-089-3
• ICSC Number: 0601
• NSC Number: 62011
• UN Number: 2261
• UNII: RLF9YS3586
• DSSTox Substance ID: DTXSID6025143
• Nikkaji Number: J6.663J
• Wikidata: Q26841194
• Metabolomics Workbench ID: 45291
• ChEMBL ID: CHEMBL1490403
• Mol file: 526-75-0.mol

Synonyms:2,3-dimethylphenol

Chemical Property of 2,3-Dimethylphenol

Chemical Property:

• Appearance/Colour: brown crystalline solid
• Vapor Pressure: 0.093mmHg at 25°C
• Melting Point: 70-73 °C(lit.)
• Refractive Index: 1.54
• Boiling Point: 216.9 °C at 760 mmHg
• PKA: 10.42±0.10(Predicted)
• Flash Point: 90.7 °C
• PSA: 20.23000
• Density: 1.014 g/cm³
• LogP: 2.00900
• Water Solubility.: slightly soluble
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 122.073164938
• Heavy Atom Count: 9
• Complexity: 90.6
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T, N
• Hazard Codes: T:Toxic;;
• Statements: R24/25:; R34:; R51/53:
• Safety Statements: S26:; S36/37/39:; S45:; S61:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC1=C(C(=CC=C1)O)C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes and skin. Corrosive on ingestion. The substance is irritating to the respiratory tract.

Technology Process of 2,3-Dimethylphenol

There total 74 articles about 2,3-Dimethylphenol 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: 98.0%

2,3-dimethylanisole (2944-49-2) → 2,3-Dimethylphenol (526-75-0)

Guidance literature:

With potassium tert-butylate; diphenylphosphane; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Sealed tube;

DOI:10.1039/d1ob01286j

Reference yield: 97.0%

2,3-dimethylphenylboronic acid (183158-34-1) → 2,3-Dimethylphenol (526-75-0)

Guidance literature:

With water; dihydrogen peroxide; In ethanol; at 20 ℃; for 0.0166667h; Green chemistry;

DOI:10.1039/d0ra08580d

Reference yield: 97.0%

C19H21NO5 → 2,3-Dimethylphenol (526-75-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; acetic acid; under 760.051 Torr;

DOI:10.1021/acs.orglett.5b01098

upstream raw materials:

2,3-dimethylcyclohex-2-en-1-one

2,3-dimethylanisole

1-iodo-2,3-dimethylbenzene

2-hydroxy-6-methylbenzaldehyde

Downstream raw materials:

4-(4,4'-dihydroxy-2,3,2',3'-tetramethyl-benzhydrylidene)-2,3-dimethyl-cyclohexa-2,5-dienone

2-(2,3-dimethyl-phenoxymethyl)-5-methoxy-pyran-4-one

2,3-dimethyl-6-(1,1,3,3-tetramethylbutyl)phenol

2,2-Bis-(4-hydroxy-2,3-dimethyl-phenyl)-3-oxo-succinic acid dimethyl ester

Refernces

• 1、 Tang, Min-Chih,Wei, Yu-Chen,Chu, Yen-Chen,Jiang, Cai-Xin,Huang, Zhi-Xuan,Wu, Chi-Chi,Chao, Tzu-Hsuan,Hong, Pei-Hsun,Cheng, Mu-Jeng,Chou, Pi-Tai,Wu, Yao-Ting. "(5,8)Picenophanedienes: Syntheses, Structural Analyses, Molecular Dynamics, and Reversible Intramolecular Structure Conversion". . p. 20351 - 20358. Retrieved 2020.
• 2、 Gurawa, Aakanksha,Kashyap, Sudhir,Kumar, Manoj. "Me3SI-promoted chemoselective deacetylation: a general and mild protocol". . p. 19310 - 19315. Retrieved 2021/06/03.
• 3、 Waggoner, Abygail R.,Abdulrahman, Yahya,Iverson, Alexis J.,Gibson, Ethan P.,Buckles, Mark A.,Poole, James S.. "Reaction of hydroxyl radical with arenes in solution—On the importance of benzylic hydrogen abstraction". . . Retrieved 2021/08/27.