2-Methoxy-2-phenylethanol

Base Information

• Chemical Name: 2-Methoxy-2-phenylethanol
• CAS No.: 2979-22-8
• Deprecated CAS: 104527-66-4
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2909499000
• European Community (EC) Number: 221-030-2
• DSSTox Substance ID: DTXSID70863068
• Nikkaji Number: J28.526I
• Mol file: 2979-22-8.mol

Synonyms:2-methoxy-2-phenylethanol;2979-22-8;2-Methoxy-2-phenyl-ethanol;2-Methoxy-2-Phenylethan-1-Ol;Benzeneethanol, .beta.-methoxy-;beta-Methoxyphenethyl alcohol;Benzeneethanol, beta-methoxy-;2-Methoxy-2-phenylethanol, 99%;EINECS 221-030-2;2-Phenyl-2-methoxyethanol;succinylchloride;beta-Methoxy benzeneethanol;s-2-methoxy-2-phenylethanol;SCHEMBL872713;DTXSID70863068;(+/-)-2-methoxy-2-phenylethanol;AMY33034;MFCD00075063;AKOS015891276;SB45118;SB45119;s11979;DS-15113;CS-0028761;FT-0605049;FT-0605254;FT-0721104;EN300-187188;A820459;J-017642;-Methoxyphenethyl alcohol

Chemical Property of 2-Methoxy-2-phenylethanol

Chemical Property:

• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 239.9 °C at 760 mmHg
• PKA: 14.18±0.10(Predicted)
• Flash Point: 97.8 °C
• PSA: 29.46000
• Density: 1.061g/cm³
• LogP: 1.36640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

97% ^*data from raw suppliers

2-Methoxy-2-phenylethanol 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CO)C1=CC=CC=C1
• Uses: (S)-2-methoxy-2-phenylethanol was employed as chiral probe for the determination of absolute configuration of active (-) enantiomer of amlodipine. 2-Methoxy-2-phenylethanol was also used in the synthesis of optically active 1,4-dihydropyridines.

Technology Process of 2-Methoxy-2-phenylethanol

There total 40 articles about 2-Methoxy-2-phenylethanol 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: 92.0%

tert-Butyl-(2-methoxy-2-phenyl-ethoxy)-dimethyl-silane → 2-methoxy-2-phenylethanol (2979-22-8)

Guidance literature:

With iron(III) chloride; In methanol; at 20 ℃; for 3h;

Reference yield: 88.0%

rac-methoxyphenylacetic acid (7021-09-2) → 2-methoxy-2-phenylethanol (2979-22-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 1.5h; Ambient temperature;

DOI:10.1021/ja00245a027

Reference yield: 79.0%

2-(2-methoxy-2-phenylethyl)-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane → 2-methoxy-2-phenylethanol (2979-22-8)

Guidance literature:

2-(2-methoxy-2-phenylethyl)-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane; With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.0833333h;

With dihydrogen peroxide; potassium hydrogencarbonate; In tetrahydrofuran; methanol; at 60 ℃; for 12h;

DOI:10.1021/acs.orglett.1c01658

upstream raw materials:

styrene oxide

methanol

sodium methylate

rac-methoxyphenylacetic acid

Downstream raw materials:

(+/-)-2-methoxy-1-(phenyl)ethyl acetate

(+/-)-2-methoxy-2-phenylethyl acetate

[2-((1S,2R,5S)-2-Isopropyl-5-methyl-cyclohexyloxymethoxy)-1-methoxy-ethyl]-benzene

2-methoxy-2-phenylacetaldehyde