ChemicalBook > CAS DataBase List > N-Phenyl-isobutyloylacetamide

N-Phenyl-isobutyloylacetamide

Product Name
N-Phenyl-isobutyloylacetamide
CAS No.
124401-38-3
Chemical Name
N-Phenyl-isobutyloylacetamide
Synonyms
Isobutyrylacetanilide;2-Isobutyrylacetanilide;Atorvastatin Impurity 66;Atorvastatin Impurity 197;N-PHENYL ISOBUTYRYLACETAMIDE;N-PHENYL-ISOBUTYLOYLACETAMIDE;N-PhNeyl-isobutyloyl Acetamide;Atorvastatin calcium impurity 65;N-Phenyl-4-Methyl-3-oxopentanaMide;4-methyl-3-oxo-n-phenyl-pentanamide
CBNumber
CB4233839
Molecular Formula
C12H15NO2
Formula Weight
205.25
MOL File
124401-38-3.mol
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N-Phenyl-isobutyloylacetamide Property

Melting point:
47 - 49°C
Boiling point:
261-264 °C
Density 
1.103
Flash point:
159°C
storage temp. 
Sealed in dry,Room Temperature
solubility 
DMSO (Slightly), Metahnol (Slightly)
pka
12.14±0.46(Predicted)
form 
Solid
color 
Off-White to Pale Pink
InChI
InChI=1S/C12H15NO2/c1-9(2)11(14)8-12(15)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15)
InChIKey
ADHRFDCBLJVNFO-UHFFFAOYSA-N
SMILES
C(NC1=CC=CC=C1)(=O)CC(=O)C(C)C
CAS DataBase Reference
124401-38-3(CAS DataBase Reference)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

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N-Bromosuccinimide Price

TRC
Product number
P335325
Product name
N-PhenylIsobutyrylacetamide
Packaging
1g
Price
$65
Updated
2021/12/16
TRC
Product number
P335325
Product name
N-PhenylIsobutyrylacetamide
Packaging
2g
Price
$90
Updated
2021/12/16
Usbiological
Product number
286793
Product name
N-Phenyl isobutyrylacetamide
Packaging
100mg
Price
$406
Updated
2021/12/16
AK Scientific
Product number
J94071
Product name
4-Methyl-3-oxo-N-phenyl-pentanamide
Packaging
1g
Price
$19
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0014770
Product name
N-PHENYL ISOBUTYRYLACETAMIDE
Purity
95.00%
Packaging
10G
Price
$1166.55
Updated
2021/12/16
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N-Phenyl-isobutyloylacetamide Chemical Properties,Usage,Production

Chemical Properties

Yellow Oil

Uses

N-Phenyl Isobutyrylacetamide (cas# 124401-38-3) is a compound useful in organic synthesis.

Synthesis

42558-54-3

62-53-3

124401-38-3

To a 1000 mL dry three-necked flask were sequentially added 60 g (0.416 mol) of methyl isobutyrylacetate, 120 g (1.288 mol) of aniline and 6 g of 4-dimethylaminopyridine (DMAP). Stirring was turned on and the temperature was slowly increased to an internal temperature of 100 °C and the reaction was maintained at this temperature for 16 hours. During the reaction, the methanol generated was collected by a fractionation device. At the end of the reaction, the system was cooled down to 70 °C and the unreacted aniline was recovered by distillation under reduced pressure, and a total of 74.7 g of aniline was recovered with 92% recovery. After the remaining reaction solution was concentrated to about 100 g, 1 kg of water was added, cooled to 30 °C and stirred to crystallize for more than 5 hours. The product was filtered, the cake was washed with water for 3 times, and dried to give a white solid product of 82.3 g. The product was analyzed by HPLC with a purity of 99.8% and a yield of 96.4%.

References

[1] Patent: CN106397241, 2017, A. Location in patent: Paragraph 0014; 0015; 0016; 0017; 0018; 0019; 0020; 0021
[2] Patent: WO2012/143933, 2012, A1. Location in patent: Page/Page column 21-22
[3] Organic and Biomolecular Chemistry, 2016, vol. 14, # 7, p. 2291 - 2296
[4] Synthetic Communications, 2015, vol. 45, # 24, p. 2832 - 2840
[5] Journal of Heterocyclic Chemistry, 2007, vol. 44, # 4, p. 923 - 926

N-Phenyl-isobutyloylacetamide Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from N-Phenyl-isobutyloylacetamide manufacturers

Hangzhou ICH Biofarm Co., Ltd
Product
4-methyl-3-oxo-N-phenyl pentanamide 124401-38-3
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
500
Release date
2023-06-27
Career Henan Chemical Co
Product
N-Phenyl-isobutyloylacetamide 124401-38-3
Price
US $1.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
100KG
Release date
2018-12-22

124401-38-3, N-Phenyl-isobutyloylacetamideRelated Search:


  • N-PHENYL-ISOBUTYLOYLACETAMIDE
  • N-PHENYL ISOBUTYRYLACETAMIDE
  • 4-Methyl-3-oxopentanoic acid anilide
  • 4-methyl-3-oxo-n-phenyl-pentanamide
  • 4-methyl-3-oxopentanoic acid phenylamide
  • 4-METHYL-3-OXO-PENTANOIC PHENYLAMIDE
  • Isobutyrylacetanilide
  • N-PhNeyl-isobutyloyl Acetamide
  • N-Phenyl-4-Methyl-3-oxopentanaMide
  • Intermediates of Atorvastatin Calcium M-2
  • Atorvastatin Impurity 66
  • Pentanamide, 4-methyl-3-oxo-N-phenyl-
  • Atorvastatin Impurity 197
  • Atorvastatin calcium intermediate M-2
  • 2-Isobutyrylacetanilide
  • Atorvastatin calcium impurity 65
  • 124401-38-3
  • INTERMEDIATES OF ATORVASTATIN
  • Atorvastatin intermediates
  • Miscellaneous Reagents
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
  • Aromatics Compounds
  • Aromatics