(4-Methylphenyl)-1,2-ethanediol

Base Information

• Chemical Name: (4-Methylphenyl)-1,2-ethanediol
• CAS No.: 13603-62-8
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2905399090
• UNII: M2G3QKM90C
• DSSTox Substance ID: DTXSID30929235
• Nikkaji Number: J1.716.427I
• Wikidata: Q27893905
• Mol file: 13603-62-8.mol

Synonyms:13603-62-8;(4-Methylphenyl)-1,2-ethanediol;1-(4-methylphenyl)ethane-1,2-diol;1,2-Ethanediol, 1-(4-methylphenyl)-;1-(4-Methylphenyl)-1,2-ethanediol;1,2-Ethanediol, 1-p-tolyl-;M2G3QKM90C;UNII-M2G3QKM90C;4-Methylphenylethylene glycol, (+/-)-;1-p-tolylethane-1,2-diol;p-methylphenyl-1,2-ethanediol;SCHEMBL1730835;DTXSID30929235;4-METHYLPHENYLETHYLENE GLYCOL;(+/-)-4-methylphenylethylene glycol;AKOS006331491;FT-0707313;EN300-679368;Q27893905

Chemical Property of (4-Methylphenyl)-1,2-ethanediol

Chemical Property:

• Vapor Pressure: 0.000282mmHg at 25°C
• Melting Point: 73.5 °C
• Boiling Point: 309.1oC at 760 mmHg
• PKA: 13.75±0.20(Predicted)
• Flash Point: 152.9oC
• PSA: 40.46000
• Density: 1.133g/cm3
• LogP: 1.02070
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-METHYLPHENYL)-1,2-ETHANEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Methylphenyl)-1,2-ethanediol

There total 32 articles about (4-Methylphenyl)-1,2-ethanediol 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: 100.0%

4-methylphenylglyoxal (1075-47-4) → 1-(4-methylphenyl)-1,2-ethanediol (13603-62-8,146566-05-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1h;

DOI:10.1016/j.tetasy.2011.12.008

Reference yield: 94.0%

2-(4-methylphenyl)oxirane (13107-39-6) → 1-(4-methylphenyl)-1,2-ethanediol (13603-62-8,146566-05-4)

Guidance literature:

With iron(III) sulfate; water; In toluene; at 110 ℃; for 2h; Ionic liquid;

DOI:10.1039/c0nj00454e

Reference yield: 90.0%

methyl 4-methylphenylglyoxylate (34966-53-5) → 1-(4-methylphenyl)-1,2-ethanediol (13603-62-8,146566-05-4)

Guidance literature:

With carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)-amino]ruthenium(II); hydrogen; sodium t-butanolate; In methanol; at 80 ℃; for 12h; under 37503.8 Torr; chemoselective reaction; Glovebox; Autoclave;

DOI:10.1055/s-0035-1561971

upstream raw materials:

2-(4-methylphenyl)oxirane

1-ethenyl-4-methylbenzene

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

p-methylphenacyl chloride

Downstream raw materials:

6-bromo-3-(4-methyl-benzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1λ⁶-benzo[1,2,4]thiadiazine-7-sulfonic acid amide

(p-Methylphenyl)-1,2-ethane cyclic carbonate

4-methylphenylacetaldehyde

2-hydroxy-1-p-tolyl-ethanone

Refernces

• 1、 Erdik, Ender,Kahya, Didem. "Structure-reactivity correlation for the ligand-decelerated catalytic osmium tetraoxide dihydroxylation of alkenes". . p. 229 - 232. Retrieved 2002.
• 2、 Feng, Wei,Gao, Taotao,Lau, Kai Kiat,Lin, Yamei,Pan, Hui-Jie,Yang, Binmiao,Zhao, Yu. "Catalytic Diastereo- and Enantioconvergent Synthesis of Vicinal Diamines from Diols through Borrowing Hydrogen". supporting information. p. 18599 - 18604. Retrieved 2021/08/09.
• 3、 Su, Yong-Liang,De Angelis, Luca,Tram, Linh,Yu, Yang,Doyle, Michael P.. "Catalytic Oxidative Cleavage Reactions of Arylalkenes by tert-Butyl Hydroperoxide - A Mechanistic Assessment". . p. 3728 - 3741. Retrieved 2020/03/23.