Benzamide, N-methyl-N-(1-methyl-2-oxo-2-phenylethyl)-

Base Information

• Chemical Name: Benzamide, N-methyl-N-(1-methyl-2-oxo-2-phenylethyl)-
• CAS No.: 55116-41-1
• Molecular Formula: C17H17NO2
• Molecular Weight: 267.327
• DSSTox Substance ID: DTXSID40455919
• Nikkaji Number: J2.667.259G
• Mol file: 55116-41-1.mol

Synonyms:55116-41-1;Benzamide, N-methyl-N-(1-methyl-2-oxo-2-phenylethyl)-;SCHEMBL1223834;DTXSID40455919;N-Methyl-N-(alpha-methylphenacyl)benzamide

Chemical Property of Benzamide, N-methyl-N-(1-methyl-2-oxo-2-phenylethyl)-

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 267.125928785
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C1=CC=CC=C1)N(C)C(=O)C2=CC=CC=C2

Technology Process of Benzamide, N-methyl-N-(1-methyl-2-oxo-2-phenylethyl)-

There total 1 articles about Benzamide, N-methyl-N-(1-methyl-2-oxo-2-phenylethyl)- 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:

N-methyl benzimidoyl chloride (21737-87-1) + C10H13NO → 2-(N-benzoyl-N-methylamino)-1-phenyl-1-propanone (55116-41-1)

Guidance literature:

With water; triethylamine; Yield given. Multistep reaction; 1) THF, 0 deg C than 24 h, RT, 2) THF, acetate buffer, 30 min, 25 deg C;

DOI:10.1016/0040-4039(94)88053-0

Reference yield: 90.0%

2-(N-benzoyl-N-methylamino)-1-phenyl-1-propanone (55116-41-1) → (1R,2R)-N-benzoylpseudoephedrine (442669-66-1)

Guidance literature:

With potassium tert-butylate; hydrogen; RuCl₂[(S)-tolbinap][(R)-dmapen]; In isopropyl alcohol; at 30 ℃; for 9h; under 6080 Torr;

DOI:10.1021/ol070125+

Reference yield:

2-(N-benzoyl-N-methylamino)-1-phenyl-1-propanone (55116-41-1) → (1R,2R)-pseudoephedrine (321-97-1,7009-81-6,90-83-5,6912-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / H₂; t-BuOK / RuCl₂[(S)-tolbinap][(R)-dmapen] / propan-2-ol / 9 h / 30 °C / 6080 Torr

2: 28 percent / NaOH / H₂O; ethanol / 12 h / Heating

With sodium hydroxide; potassium tert-butylate; hydrogen; RuCl₂[(S)-tolbinap][(R)-dmapen]; In ethanol; water; isopropyl alcohol;

DOI:10.1021/ol070125+

upstream raw materials:

N-methyl benzimidoyl chloride

Downstream raw materials:

(1R,2R)-N-benzoylpseudoephedrine

(1R,2R)-pseudoephedrine

(1S,2S)-N-benzoylpseudoephedrine

Refernces