NSC 46633

Base Information

• Chemical Name: NSC 46633
• CAS No.: 699-91-2
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2914501900
• Mol file: 699-91-2.mol

Synonyms:2-Hydroxy-3-methylacetophenone;1-(2-hydroxy-3-methyl-phenyl)ethanone;Acetophenone, 2-hydroxy-3-methyl-;

Chemical Property of NSC 46633

Chemical Property:

• Vapor Pressure: 0.0281mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 238.1 °C at 760 mmHg
• PKA: 10.51±0.10(Predicted)
• Flash Point: 97.2 °C
• PSA: 37.30000
• Density: 1.106 g/cm³
• LogP: 1.90320
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

2-Acetyl-6-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Acetyl-6-methylphenol is used to prepare (hydroxyphenyl)(piperidinyl)pyridines as IκB kinase β inhibitors and orally active anti-inflammatory agents.

Technology Process of NSC 46633

There total 31 articles about NSC 46633 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%

(chloroethynyl)triethylsilane (23184-01-2) + ortho-cresol (95-48-7,77504-84-8) → 2-acetyl-6-methylphenol (699-91-2)

Guidance literature:

With n-butyllithium; gallium(II) chloride; In chlorobenzene; at 80 ℃; for 3h;

DOI:10.1021/ja026108r

Reference yield: 92.0%

acetic acid (64-19-7,77671-22-8) + ortho-cresol (95-48-7,77504-84-8) → 4-hydroxy-3-methylphenyl methyl ketone (876-02-8) + 2-acetyl-6-methylphenol (699-91-2)

Guidance literature:

With aluminum oxide; methanesulfonic acid; at 140 ℃; for 5h;

Reference yield: 90.0%

3-methylsalicylic acid (83-40-9) + methyllithium (917-54-4) → 2-acetyl-6-methylphenol (699-91-2)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; Inert atmosphere;

upstream raw materials:

pyridine

4-hydroxy-8-methylcoumarin

2-methylphenyl acetate

acetic anhydride

Downstream raw materials:

3-methyl-(p-methoxy)cinnamoyloxyacetophenone

4-Acetylamino-3-nitro-benzoic acid 2-acetyl-6-methyl-phenyl ester

2-(1-Imidazol-1-yl-vinyl)-6-methyl-phenol

1-[2-(4-methoxy-2-butynyloxy)-3-methylphenyl]ethanone

Refernces

• 1、 Huang, He,Lambert, Tristan H.. "Electrophotocatalytic C?H Heterofunctionalization of Arenes". supporting information. p. 11163 - 11167. Retrieved 2021/04/19.
• 2、 Ohmura, Toshimichi,Kusaka, Satoshi,Torigoe, Takeru,Suginome, Michinori. "Iridium-Catalyzed C(sp3)?H Addition of Methyl Ethers across Intramolecular Carbon–Carbon Double Bonds Giving 2,3-Dihydrobenzofurans". supporting information. p. 4448 - 4453. Retrieved 2019/09/16.