2-Hydroxy-2-methoxy-1-phenylethanone

Base Information

• Chemical Name: 2-Hydroxy-2-methoxy-1-phenylethanone
• CAS No.: 97904-56-8
• Molecular Formula: C9H10O3
• Molecular Weight: 166.17400
• DSSTox Substance ID: DTXSID90559092
• Nikkaji Number: J1.393.411H
• Wikidata: Q82441646
• Mol file: 97904-56-8.mol

Synonyms:methoxy-2-hydroxyacetophenone;2-Hydroxy-2-methoxy-1-phenylethanone;97904-56-8;alpha-Hydroxy-alpha-methoxyacetophenone;SCHEMBL34992;DTXSID90559092;2-Hydroxy-2-methoxy-1-phenylethan-1-one

Chemical Property of 2-Hydroxy-2-methoxy-1-phenylethanone

Chemical Property:

• PSA: 46.53000
• LogP: 0.83410
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C(=O)C1=CC=CC=C1)O

Technology Process of 2-Hydroxy-2-methoxy-1-phenylethanone

There total 3 articles about 2-Hydroxy-2-methoxy-1-phenylethanone 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: 65.0%

methanol (67-56-1) + phenylacetylene (536-74-3) → α-ethoxy-α-hydroxy-acetophenone (97904-56-8)

Guidance literature:

phenylacetylene; With ammonium peroxydisulfate; diphenyl diselenide; water; In acetonitrile; at 60 ℃; for 24h;

methanol; With silica gel; In dichloromethane;

DOI:10.1055/s-0029-1219817

Reference yield: 55.0%

phenylacetylene (536-74-3) + isopropyl alcohol (67-63-0,8013-70-5) → α-ethoxy-α-hydroxy-acetophenone (97904-56-8)

Guidance literature:

phenylacetylene; With ammonium peroxydisulfate; diphenyl diselenide; water; In acetonitrile; at 60 ℃; for 24h;

isopropyl alcohol; With silica gel; In dichloromethane;

DOI:10.1055/s-0029-1219817

Reference yield:

α-hydroxy-α-methylthio-acetophenone (13603-49-1) → α-ethoxy-α-hydroxy-acetophenone (97904-56-8)

Guidance literature:

With hydrogenchloride; 3-methyl-4-amino-5-mercapto-1,2,4-triazole; In ethanol; Heating;

DOI:10.1007/s00706-005-0372-1

upstream raw materials:

α-hydroxy-α-methylthio-acetophenone

methanol

phenylacetylene

isopropyl alcohol

Downstream raw materials:

α-Methoxy-α-(1H-1,2,4-triazol-1-yl)acetophenon

2-Imidazol-1-yl-2-methoxy-1-phenyl-ethanone

(1R,2R)-1-Imidazol-1-yl-1-methoxy-2-phenyl-3-[1,2,4]triazol-1-yl-propan-2-ol

(1S,2R)-1-Imidazol-1-yl-1-methoxy-2-phenyl-3-[1,2,4]triazol-1-yl-propan-2-ol