[(R)-3-(Acetylamino)butyl]benzene

Base Information

• Chemical Name: [(R)-3-(Acetylamino)butyl]benzene
• CAS No.: 22148-79-4
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• DSSTox Substance ID: DTXSID20426147
• Nikkaji Number: J52.446H
• Mol file: 22148-79-4.mol

Synonyms:22148-79-4;(R)-N-(4-Phenylbutan-2-yl)acetamide;ZINC00163997;SCHEMBL10439379;DTXSID20426147;[(R)-3-(Acetylamino)butyl]benzene

Chemical Property of [(R)-3-(Acetylamino)butyl]benzene

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=CC=C1)NC(=O)C
• Isomeric SMILES: C[C@H](CCC1=CC=CC=C1)NC(=O)C

Technology Process of [(R)-3-(Acetylamino)butyl]benzene

There total 23 articles about [(R)-3-(Acetylamino)butyl]benzene 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: 98.0%

(RS)-1-methyl-3-phenylpropylamine (22374-89-6,22148-77-2,1199266-89-1) + ethyl acetate (141-78-6) → (R)-N-(4-phenylbutan-2-yl)ethanamide (22148-79-4)

Guidance literature:

With hydrogen; palladium on aluminium oxyhydroxide; In toluene; at 100 ℃; for 4h; under 760.051 Torr; Product distribution / selectivity;

Reference yield: 98.0%

(R)-N-(4-phenylbut-3-yn-2-yl)acetamide → (R)-N-(4-phenylbutan-2-yl)ethanamide (22148-79-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 3h;

DOI:10.1002/anie.202106566

Reference yield: 94.0%

N-benzhydryl-4-phenylbutan-2-amine + acetic anhydride (108-24-7) → (R)-N-(4-phenylbutan-2-yl)ethanamide (22148-79-4)

Guidance literature:

With palladium on activated charcoal; hydrogen; In dichloromethane; water; at 40 ℃; for 15h; under 15201 Torr; enantioselective reaction; Autoclave; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00212

upstream raw materials:

(RS)-1-methyl-3-phenylpropylamine

ethyl acetate

Isopropyl acetate

ethyl 2-methoxyacetate