2-Hydroxy-1-(4-methylphenyl)ethanone

Base Information

• Chemical Name: 2-Hydroxy-1-(4-methylphenyl)ethanone
• CAS No.: 4079-54-3
• Molecular Formula: C9H10 O2
• Molecular Weight: 150.177
• Hs Code.: 2914400090
• NSC Number: 249813
• DSSTox Substance ID: DTXSID10312106
• Nikkaji Number: J673.814A
• Wikidata: Q82062455
• Mol file: 4079-54-3.mol

Synonyms:4079-54-3;2-HYDROXY-1-(4-METHYLPHENYL)ETHANONE;2-Hydroxy-4'-methylacetophenone;Ethanone,2-hydroxy-1-(4-methylphenyl)-;2-hydroxy-1-(4-methylphenyl)ethan-1-one;p-methylbenzoylmethanol;NSC249813;2-hydroxy-1-p-tolylethanone;SCHEMBL3892731;2-hydroxy-1-(p-tolyl)-ethanone;DTXSID10312106;4'-Methyl-alpha-hydroxyacetophenone;AC6089;MFCD07778990;AKOS009115107;NSC 249813;NSC-249813;BS-27967;SY026844;CS-0205248;EN300-197582;A873226;Z228585628;2-Hydroxy-4 inverted exclamation mark -methylacetophenone

Chemical Property of 2-Hydroxy-1-(4-methylphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00349mmHg at 25°C
• Boiling Point: 269.9 °C at 760 mmHg
• Flash Point: 112.5 °C
• PSA: 37.30000
• Density: 1.114 g/cm³
• LogP: 1.17000
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxy-4''-methylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Hydroxy-1-(4-methylphenyl)ethanone

There total 43 articles about 2-Hydroxy-1-(4-methylphenyl)ethanone 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: 97.0%

CH3C6H4CH(CH3)OH (536-50-5) + 3,3-dimethyldioxirane (74087-85-7) → 2-hydroxy-1-p-tolyl-ethanone (4079-54-3) + para-methylacetophenone (122-00-9)

Guidance literature:

In acetone; at 25 ℃; for 3h;

DOI:10.1016/S0040-4039(00)78488-7

Reference yield: 96.0%

1-(4-methylphenyl)-1,2-ethanediol (13603-62-8,146566-05-4) → 2-hydroxy-1-p-tolyl-ethanone (4079-54-3)

Guidance literature:

With β‐cyclodextrin; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In water; acetone; at 20 ℃; for 12h;

DOI:10.1021/jo026751w

Reference yield: 94.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-methyl-benzaldehyde (104-87-0) → 2-hydroxy-1-p-tolyl-ethanone (4079-54-3)

Guidance literature:

With potassium phosphate buffer; thiamine diphosphate; magnesium sulfate; benzaldehyde lyase from Pseudomonas fluorescens; In dimethyl sulfoxide; at 37 ℃; pH=7.0; Enzymatic reaction;

DOI:10.1016/j.tet.2004.06.015

upstream raw materials:

2-oxo-2-(4-tolyl)ethyl acetate

4-methylbenzoic acid ethyl ester

1-p-methylphenyl-1-trimethylsiloxyethene

1-(phenylsulfenyl)-2-(p-tolyl)-1,2-bis(trifluoroacetoxy)ethane

Downstream raw materials:

p-Toluic acid

formaldehyd

4-methyl-benzoic acid methyl ester

N-(2-methoxymethoxy-1-p-tolyl-vinyl)-acetamide

Refernces

• 1、 Pan, Ting,Gao, Xing,Yang, Sen,Wang, Lan,Hu, Yimin,Liu, Min,Wang, Wei,Wu, Yongjun,Zheng, Bing,Guo, Hongchao. "Palladium-Catalyzed (3+3) Annulation of Allenylethylene Carbonates with Nitrile Oxides". supporting information. p. 5750 - 5754. Retrieved 2021/08/16.
• 2、 Chen, Xiangyang,Hao, Jiping,Houk, K. N.,Li, Yingzi,Lou, Liguang,Quan, Haitian,Song, Bichao,Wang, Lu,Xia, Yuanzhi,Xie, Peipei,Xu, Zhongliang,Yang, Weibo. "Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Macrocyclic P-glycoprotein Inhibitors". . p. 9982 - 9992. Retrieved 2020/06/27.