2,5-Dimethoxyphenethyl alcohol

Base Information

• Chemical Name: 2,5-Dimethoxyphenethyl alcohol
• CAS No.: 7417-19-8
• Molecular Formula: C10H14 O3
• Molecular Weight: 182.219
• European Community (EC) Number: 231-030-4
• NSC Number: 101850
• DSSTox Substance ID: DTXSID20225137
• Nikkaji Number: J278.820I
• Wikidata: Q83104061
• Mol file: 7417-19-8.mol

Synonyms:2,5-Dimethoxyphenethyl alcohol;7417-19-8;2-(2,5-dimethoxyphenyl)ethanol;2-(2,5-dimethoxyphenyl)ethan-1-ol;EINECS 231-030-4;Benzeneethanol, 2,5-dimethoxy-;NSC101850;2,5-Dimethoxybenzeneethanol;NCIOpen2_001623;SCHEMBL1145887;DTXSID20225137;2-(2,5-Dimethoxy-phenyl)-ethanol;AKOS012097916;NSC 101850;NSC-101850;F20266;EN300-1625475

Chemical Property of 2,5-Dimethoxyphenethyl alcohol

Chemical Property:

• Vapor Pressure: 0.000645mmHg at 25°C
• Refractive Index: 1.5395 (estimate)
• Boiling Point: 296.5°C at 760 mmHg
• PKA: 14.79±0.10(Predicted)
• Flash Point: 133.1°C
• PSA: 38.69000
• Density: 1.086g/cm³
• LogP: 1.23860
• XLogP3: 1.5
• 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

2,5-DIMETHOXYPHENETHYLALCOHOL ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)CCO

Technology Process of 2,5-Dimethoxyphenethyl alcohol

There total 15 articles about 2,5-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: 100.0%

(2,5-dimethoxyphenyl)acetic acid (1758-25-4) → 2-(2,5-dimethoxyphenyl)ethanol (7417-19-8)

Guidance literature:

With diborane; In tetrahydrofuran;

DOI:10.1021/jm00105a043

Reference yield: 80.0%

propyl 2,5-dimethoxyphenylacetate (82301-18-6) → 2-(2,5-dimethoxyphenyl)ethanol (7417-19-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

Reference yield: 74.0%

2,5-dimethoxyphenylacetyl chloride (52711-92-9) → 2-(2,5-dimethoxyphenyl)ethanol (7417-19-8)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; 1.) 0 deg C, 30 min, 2.) reflux, 2 h;

DOI:10.1016/0022-1139(96)03417-3

upstream raw materials:

ethanol

ethyl (2,5-dimethoxyphenyl)acetate

(2,5-dimethoxyphenyl)acetic acid

n-butyllithium

Downstream raw materials:

5,8-Dimethoxy-1-phenyl-isochroman

2-(2-iodoethyl)-1,4-dimethoxy-benzene

tert-butyl-[2-(2,5-dimethoxy-phenyl)-ethoxy]-dimethyl-silane

Refernces

• 1、 Chen, Dong,Liu, Hao-Miao,Li, Ming-Ming,Yan, Yong-Min,Xu, Wen-Dan,Li, Xiao-Nian,Cheng, Yong-Xian,Qin, Hong-Bo. "Concise synthesis of (±)-Lingzhiol via epoxy-arene cyclization". . p. 14594 - 14596. Retrieved 2015/09/28.
• 2、 Ornstein, Paul L.,Bleisch, Thomas J.,Arnold, M. Brian,Kennedy, Joseph H.,Wright, Rebecca A.,Johnson, Bryan G.,Tizzano, Joseph P.,Helton, David R.,Kallman, Mary Jeanne,Schoepp, Darryle D.,Hérin, Marc. "2-substituted (2SR)-2-amino-2-((1SR,2SR)-2-carboxycycloprop-1- yl)glycines as potent and selective antagonists of group II metabotropic glutamate receptors. 2. Effects of aromatic substitution, pharmacological characterization, and bioavailability". . p. 358 - 378. Retrieved 2007/10/03.