Methanone, (3-methyloxiranyl)phenyl-

Base Information

• Chemical Name: Methanone, (3-methyloxiranyl)phenyl-
• CAS No.: 17180-62-0
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• DSSTox Substance ID: DTXSID30438478
• Nikkaji Number: J706.166H
• Mol file: 17180-62-0.mol

Synonyms:(3-methyloxiran-2-yl)-phenylmethanone;Methanone, (3-methyloxiranyl)phenyl-;17180-62-0;2-Benzoyl-3-methyloxirane;SCHEMBL6047458;DTXSID30438478;AKOS015905920;(3-methyl-2-oxiranyl)(phenyl)methanone

Chemical Property of Methanone, (3-methyloxiranyl)phenyl-

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(O1)C(=O)C2=CC=CC=C2

Technology Process of Methanone, (3-methyloxiranyl)phenyl-

There total 10 articles about Methanone, (3-methyloxiranyl)phenyl- 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: 93.0%

1-phenylbut-2-en-1-one (495-41-0) → (3-methyloxiran-2-yl)(phenyl)methanone (17180-62-0)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In methanol; at -30 ℃; for 1.5h;

Reference yield: 90.0%

(E)-1-phenyl-2-buten-1-one (35660-91-4,35845-66-0,495-41-0) → [(2RS,3SR)-3-methyloxiran-2-yl]phenylmethanone (73172-59-5,17180-62-0,89708-76-9,100939-35-3)

Guidance literature:

With 1-hydroxy-1,2-benzbromoxol-3-(1H)-one; sodium hydroxide; In N,N-dimethyl-formamide; at 25 ℃; for 12h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/jacs.1c04536

Reference yield: 80.0%

acetaldehyde (75-07-0,9002-91-9) + 1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2) → (3-methyloxiran-2-yl)(phenyl)methanone (17180-62-0)

Guidance literature:

1-chloroacetophenone; With C₃₁H₃₈N₂O₈; triethylamine; In tetrahydrofuran; at 0 ℃; for 0.5h;

acetaldehyde; In tetrahydrofuran; at 0 ℃; for 24h; enantioselective reaction;

DOI:10.1039/c7cc06194c

upstream raw materials:

1-phenylbut-2-en-1-one

1-phenyl-2-buten-1-ol

acetaldehyde

1-chloroacetophenone

Downstream raw materials:

(1R,2R,3S)-1-phenyl-2,3-epoxybutan-1-ol

(S,S,S)-(+)-erythro-trans-1-phenyl-2,3-epoxybutan-1-ol

(R,R,R)-(-)-erythro-trans-1-phenyl-2,3-epoxybutan-1-ol

Benzoic acid 2-chloro-1-methyl-3-oxo-3-phenyl-propyl ester