3,4-Dimethoxyphenethyl alcohol

Base Information

• Chemical Name: 3,4-Dimethoxyphenethyl alcohol
• CAS No.: 7417-21-2
• Molecular Formula: C10H14O3
• Molecular Weight: 182.219
• Hs Code.: 29094990
• European Community (EC) Number: 231-032-5
• NSC Number: 179202,101852
• DSSTox Substance ID: DTXSID80225138
• Nikkaji Number: J45.948H
• Wikidata: Q63399534
• Mol file: 7417-21-2.mol

Synonyms:3,4-Dimethoxyphenethyl alcohol;2-(3,4-Dimethoxyphenyl)ethanol;7417-21-2;2-(3,4-Dimethoxyphenyl)Ethan-1-Ol;Homoveratryl alcohol;3,4-Dimethoxyphenethanol;3,4-Dimethoxybenzeneethanol;Benzeneethanol, 3,4-dimethoxy-;MFCD00002894;Phenethyl alcohol, 3,4-dimethoxy-;EINECS 231-032-5;3,4-Dimethoxy-.beta.-phenethyl alcohol;1-(2-Hydroxyethyl)-3,4-dimethoxybenzene;AI3-39210;Benzeneethanol,4-dimethoxy-;Phenethyl alcohol,4-dimethoxy-;3,4-Dimethoxyphenethylalcohol;NCIOpen2_001861;SCHEMBL296593;3,4-dimethoxy phenethyl alcohol;3,4-dimethoxyphenylethyl alcohol;DTXSID80225138;2-(3,4-dimethoxyphenyl)-ethanol;2-(3,4-dimethoxy-phenyl)-ethanol;BCP30362;STR03669;Ethanol, 2-(3,4-dimethoxyphenyl);NSC101852;NSC179202;AKOS000277428;AC-8719;NSC 101852;NSC 179202;NSC-101852;NSC-179202;PS-5102;2-(3,4-Dimethoxyphenyl)ethanol, 98%;SY051539;AM20041101;CS-0015314;D4107;FT-0608526;EN300-117538;2-(3,4-Dimethoxyphenyl)ethanol, >98.0%(GC);A852425;W-104428;Q63399534;Z397587464

Chemical Property of 3,4-Dimethoxyphenethyl alcohol

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Vapor Pressure: 0.000702mmHg at 25°C
• Melting Point: 46-49 °C(lit.)
• Refractive Index: 1.516
• Boiling Point: 295.2 °C at 760 mmHg
• PKA: 14.80±0.10(Predicted)
• Flash Point: 127.6 °C
• PSA: 38.69000
• Density: 1.086 g/cm³
• LogP: 1.23860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

2-(3,4-Dimethoxyphenyl)ethanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCO)OC
• Uses: 2-(3,4-Dimethoxyphenyl)ethanol (Homoveratryl alcohol) was used as a model compound in the delignification mechanism studies of Mn(III)-substituted polyoxometalates (MSP).

Technology Process of 3,4-Dimethoxyphenethyl alcohol

There total 30 articles about 3,4-Dimethoxyphenethyl alcohol 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%

1,2-dimethoxy-4-(2-tert-butyldimethylsiloxyethyl)benzene (406215-61-0) → 2-(3,4-dimethoxyphenyl)ethyl alcohol (7417-21-2)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; dichloromethane; at 20 - 25 ℃; for 0.333333h; Flow reactor;

DOI:10.1016/j.tetlet.2017.05.008

Reference yield: 93.0%

homovanillyl alcohol (2380-78-1) + methyl iodide (74-88-4) → 2-(3,4-dimethoxyphenyl)ethyl alcohol (7417-21-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 0.5h;

DOI:10.1080/10286020.2020.1724970

Reference yield: 87.0%

3,4-dimethoxystyrene (6380-23-0) → 2-(3,4-dimethoxyphenyl)ethyl alcohol (7417-21-2)

Guidance literature:

3,4-dimethoxystyrene; With borane-THF; In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere;

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; water; at 0 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b00847

upstream raw materials:

(3,4-Dimethoxyphenyl)acetic acid

n-butyllithium

4-Bromoveratrole

ethanol

Downstream raw materials:

phenyl-carbamic acid-(3,4-dimethoxy-phenethyl ester)

1-(3,4-dimethoxyphenyl)-2-(p-toluenesulfonyloxy)ethane

2-(3,4-dimethoxyphenyl)-ethylchloride

4-(2-bromo-ethyl)-pyrocatechol

Refernces

• 1、 de ávila, Roberta Marques Dias,Toffano, Leonardo,Fernandes, Jo?o Batista,da Silva, Maria Fátima das Gra?as Fernandes,de Sousa, Lorena Ramos Freitas,Vieira, Paulo Cezar. "Biotransformation of pungent constituents from ginger (Zingiber officinale Roscoe) by Colletotrichum gloeosporioides yields oxidative ortho–ortho coupling products". . . Retrieved 2021/02/22.
• 2、 Xu, Beibei,Jiang, Xunjin,Xiong, Jing,Lan, Jun,Tian, Yuan,Zhong, Linhai,Wang, Xinquan,Xu, Ning,Cao, Hanwei,Zhang, Wenqing,Zhang, Hao,Hong, Xiaoting,Zhan, Yan-Yan,Zhang, Yandong,Hu, Tianhui. "Structure-Activity Relationship Study Enables the Discovery of a Novel Berberine Analogue as the RXRα Activator to Inhibit Colon Cancer". . p. 5841 - 5855. Retrieved 2020/07/03.