2,4-Dimethylbenzene-1,3-diol

Base Information

• Chemical Name: 2,4-Dimethylbenzene-1,3-diol
• CAS No.: 634-65-1
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• European Community (EC) Number: 211-213-5
• DSSTox Substance ID: DTXSID60212809
• Nikkaji Number: J116.748K
• Wikidata: Q72466613
• Mol file: 634-65-1.mol

Synonyms:2,4-dimethylbenzene-1,3-diol;634-65-1;2,4-Dimethylresorcinol;2,4-Dimethyl-1,3-benzenediol;EINECS 211-213-5;2,4-dimethyl-benzene-1,3-diol;1,3-DIHYDROXY-2,4-DIMETHYLBENZENE;Dimethylhydroresorcin;SCHEMBL21287;DTXSID60212809;1,3-Benzenediol, 2,4-dimethyl-;AC-871;AKOS006295605;AB24905;CS-0433502;FT-0610189;A1-30085

Chemical Property of 2,4-Dimethylbenzene-1,3-diol

Chemical Property:

• Vapor Pressure: 0.00153mmHg at 25°C
• Melting Point: 110℃
• Refractive Index: 1.582
• Boiling Point: 286.4 °C at 760 mmHg
• PKA: 10.42±0.23(Predicted)
• Flash Point: 142.3 °C
• PSA: 40.46000
• Density: 1.162 g/cm³
• LogP: 1.71460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Dimethylbenzene-1,3-diol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dimethylbenzene-1,3-diol

There total 14 articles about 2,4-Dimethylbenzene-1,3-diol 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: 82.0%

2,4-dihydroxy-3-methylbenzaldehyde (6248-20-0) → 2,4-dimethylbenzene-1,3-diol (634-65-1)

Guidance literature:

With aluminum (III) chloride; lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201705976

Reference yield: 41.0%

4-Ethylsulfanyl-2,6-dimethyl-benzene-1,3-diol → 2,4-dimethylbenzene-1,3-diol (634-65-1)

Guidance literature:

With nickel; In ethanol; water; at 60 ℃; Heating;

DOI:10.1016/0031-9422(95)00175-7

Reference yield: 32.0%

2,4-Xylenol (105-67-9) → 2,4-dimethyl-5-hydroxyphenol (615-89-4) + 2,4-dimethylbenzene-1,3-diol (634-65-1)

Guidance literature:

With hydrogen fluoride; dihydrogen peroxide; antimony pentafluoride; at -40 ℃; for 0.5h;

DOI:10.1039/c39800001128

upstream raw materials:

2,4-dihydroxy-3-methylbenzaldehyde

2,4-dihydroxyisophthalic anhydride

2.6-dimethylphenol

2,4-Xylenol

Downstream raw materials:

sorbicillin

2,4-dimethyl-6-hexanoyl-resorcinol

5-bromo-2,4-dimethyl-resorcinol

1,3-diacetoxy-2,4-dimethyl-benzene

Refernces

• 1、 Chen, Kai-Yue,Mou, Shu-Bin,Wang, Hua-Qi,Xiang, Zheng,Xiao, Wen. "Syntheses of the Carotane-type Terpenoids (+)-Schisanwilsonene A and (+)-Tormesol via a Two-Stage Approach". supporting information. p. 400 - 404. Retrieved 2021/01/13.
• 2、 Sib, Anna,Gulder, Tobias A. M.. "Stereoselective Total Synthesis of Bisorbicillinoid Natural Products by Enzymatic Oxidative Dearomatization/Dimerization". supporting information. p. 12888 - 12891. Retrieved 2017/09/14.