N,2-dimethyl-N-phenylbutanamide

Base Information

• Chemical Name: N,2-dimethyl-N-phenylbutanamide
• CAS No.: 84434-18-4
• Molecular Formula: C₁₂H₁₇NO
• Molecular Weight: 191.273
• Hs Code.: 2924299090
• European Community (EC) Number: 282-817-4
• DSSTox Substance ID: DTXSID10868810
• Nikkaji Number: J297.677C
• Mol file: 84434-18-4.mol

Synonyms:N,2-dimethyl-N-phenylbutanamide;84434-18-4;GARDAMIDE;Butanamide, N,2-dimethyl-N-phenyl-;EINECS 282-817-4;N,2-Dimethyl-N-phenylbutyramide;N-Methyl-N-phenyl-2-methylbutyramide;SCHEMBL1491198;DTXSID10868810;AKOS006242795;N,2 - dimethyl - N - phenylbutyramide;Z253505308

Chemical Property of N,2-dimethyl-N-phenylbutanamide

Chemical Property:

• Appearance/Colour: colorless pale yellow liquid
• Vapor Pressure: 0.00521mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 275.1 °C at 760 mmHg
• Flash Point: 113.1 °C
• PSA: 20.31000
• Density: 1.001 g/cm³
• LogP: 2.69550
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

99.9% ^*data from raw suppliers

N,2-Dimethyl-N-phenylbutanamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,2-dimethyl-N-phenylbutanamide

There total 3 articles about N,2-dimethyl-N-phenylbutanamide 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: 56.0%

(S)-2-Methylbutyric acid (1730-91-2) + N-methylaniline (100-61-8) → (S)-(+)-N,2-dimethyl-N-phenylbutyramide (84434-18-4)

Guidance literature:

(S)-2-Methylbutyric acid; With pivaloyl chloride; triethylamine; In diethyl ether; at 0 - 5 ℃; for 0.666667h;

N-methylaniline; In diethyl ether; toluene; at 60 - 80 ℃; for 3h;

Reference yield:

(E)-2-Methyl-but-2-enoic acid (2-bromo-phenyl)-methyl-amide → 3-ethyl-1,3-dimethylindolin-2-one (22326-72-3,22326-87-0,127118-49-4,144408-71-9) + 1,3,4-trimethyl-3,4-dihydro-2-quinolinone (127118-50-7) + gardamide (84434-18-4) + N-(2-Bromo-phenyl)-2,N-dimethyl-butyramide + 2-Methyl-but-3-enoic acid (2-bromo-phenyl)-methyl-amide

Guidance literature:

With samarium diiodide; water; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at -18 ℃; Product distribution;

DOI:10.1016/0040-4039(94)02398-U

Reference yield:

→ (R)-(-)-N,2-dimethyl-N-phenylbutyramide (84434-18-4)

Guidance literature:

upstream raw materials:

(S)-2-Methylbutyric acid

N-methylaniline

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