3-oxo-N-(1-phenylethyl)butanamide

Base Information

• Chemical Name: 3-oxo-N-(1-phenylethyl)butanamide
• CAS No.: 85729-63-1
• Molecular Formula: C12H15 N O2
• Molecular Weight: 205.25
• Hs Code.: 2924299090
• NSC Number: 59843
• DSSTox Substance ID: DTXSID40289211
• Mol file: 85729-63-1.mol

Synonyms:3-oxo-N-(1-phenylethyl)butanamide;85729-63-1;NSC59843;CBMicro_014384;SCHEMBL1978152;DTXSID40289211;SMSF0004786;MFCD00449672;NSC 59843;NSC-59843;AKOS000166561;AKOS017269377;SB77908;BS-36128;BIM-0014339.P001;SR-01000199335;SR-01000199335-1

Chemical Property of 3-oxo-N-(1-phenylethyl)butanamide

Chemical Property:

• Vapor Pressure: 2.12E-06mmHg at 25°C
• Boiling Point: 393.5°C at 760 mmHg
• PKA: 11.51±0.46(Predicted)
• Flash Point: 163.6°C
• PSA: 46.17000
• Density: 1.068g/cm³
• LogP: 2.23380
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

3-oxo-N-(1-phenylethyl)butanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-oxo-N-(1-phenylethyl)butanamide

There total 2 articles about 3-oxo-N-(1-phenylethyl)butanamide 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: 91.0%

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + rac-methylbenzylamine (618-36-0) → (1'S)-N-(1-phenylethyl)-3-ketobutanamide (85729-63-1)

Guidance literature:

With dmap; triethylamine; In dichloromethane; for 3.5h;

DOI:10.1016/S0957-4166(00)80207-4

Reference yield:

→ (1'S)-N-(1-phenylethyl)-3-ketobutanamide (85729-63-1)

Guidance literature:

Reference yield:

(1'S)-N-(1-phenylethyl)-3-ketobutanamide (85729-63-1) + methyl iodide (74-88-4) → 2,2-Dimethyl-N-[1-(R)-phenylethyl]-3-oxo-butanamide

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide;

upstream raw materials:

4-methyleneoxetan-2-one

rac-methylbenzylamine

Downstream raw materials:

(R)-3-Hydroxy-N-((S)-1-phenyl-ethyl)-butyramide

(+)-N-(1(R)-phenylethyl)-3(S)-hydroxybutyramide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 85729-63-1 3-oxo-N-(1-phenylethyl)butanamide

Send

Send

Metric Ton KG G Pound L ML

Send

Send