2-(2-Hydroxy-5-propylphenyl)-4-propylphenol

Base Information

• Chemical Name: 2-(2-Hydroxy-5-propylphenyl)-4-propylphenol
• CAS No.: 20601-85-8
• Molecular Formula: C18H22O2
• Molecular Weight: 270.37
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID30415784
• Nikkaji Number: J277.754A
• Wikidata: Q82224771
• Metabolomics Workbench ID: 130841
• ChEMBL ID: CHEMBL32362
• Mol file: 20601-85-8.mol

Synonyms:Tetrahydromagnolol;20601-85-8;2-(2-hydroxy-5-propylphenyl)-4-propylphenol;magnolignan;tetrahydro-magnolol;[1,1'-Biphenyl]-2,2'-diol, 5,5'-dipropyl-;CHEMBL32362;5,5'-Dipropyl-[1,1'-biphenyl]-2,2'-diol;MLO;SCHEMBL662610;DTXSID30415784;BDBM50428092;2,2'-dihydroxy-5,5'-dipropyl-biphenyl;MS-23831;HY-116637;CS-0066137;D09209;1,1'-Biphenyl]-2,2'-diol, 5,5'-Dipropyl-

Chemical Property of 2-(2-Hydroxy-5-propylphenyl)-4-propylphenol

Chemical Property:

• Melting Point: 144.5 °C
• Boiling Point: 165.5-166 °C(Press: 2 Torr)
• PKA: 9.26±0.43(Predicted)
• PSA: 40.46000
• Density: 1.080±0.06 g/cm3(Predicted)
• LogP: 4.66980
• Solubility.: ≤20mg/ml in ethanol;16mg/ml in DMSO;20mg/ml in dimethyl formamide
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 270.161979940
• Heavy Atom Count: 20
• Complexity: 251

Purity/Quality:

99%, ^*data from raw suppliers

Tetrahydromagnolol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCC)O

Technology Process of 2-(2-Hydroxy-5-propylphenyl)-4-propylphenol

There total 18 articles about 2-(2-Hydroxy-5-propylphenyl)-4-propylphenol 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: 79.0%

5,5'-dipropyl-[1,1'-biphenyl]-2,2'-diyl bis(dimethylcarbamate) → tetrahydromagnolol (20601-85-8)

Guidance literature:

With sodium hydroxide; In ethanol; at 70 ℃; for 5h; Sealed tube;

DOI:10.1021/acs.orglett.5b02115

Reference yield: 25.0%

2-hydroxy-5-propylphenylboronic acid (1413440-39-7) + 2-bromo-4-propylphenol (64080-16-6) → tetrahydromagnolol (20601-85-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; ethanol; water; sodium carbonate; In toluene; at 100 ℃;

DOI:10.1021/ml300235q

Reference yield: 13.0%

4-n-Propylphenol (645-56-7) → tetrahydromagnolol (20601-85-8)

Guidance literature:

With horseradish peroxidase type-1; dihydrogen peroxide; In methanol; at 20 ℃; for 0.3h; pH=6.0;

DOI:10.1016/j.bmcl.2004.10.011

upstream raw materials:

Magnolol

trans-Isomagnolol

2,2'-dimethoxy-5,5'-dipropyl-biphenyl

ethanol

Refernces

• 1、 Li, Hu,He, Ying-Hui,Hu, Yong-Mei,Chu, Qing-Ru,Chen, Yong-Jia,Wu, Zhen-Rong,Zhang, Zhi-Jun,Liu, Ying-Qian,Yang, Cheng-Jie,Liang, Hong-Jie,Yan, Yin-Fang. "Design, Synthesis, and Structure-Activity Relationship Studies of Magnolol Derivatives as Antifungal Agents". . p. 11781 - 11793. Retrieved 2021/10/20.
• 2、 -. "METHOD OF PRODUCING POLYHYDRIC PHENOL COMPOUND". Paragraph 0061; 0062; 0063-0066. . Retrieved 2018/10/16.