ChemicalBook > CAS DataBase List > 2-Benzylidene isobutyryl acetanilide

2-Benzylidene isobutyryl acetanilide

Product Name
2-Benzylidene isobutyryl acetanilide
CAS No.
125971-57-5
Chemical Name
2-Benzylidene isobutyryl acetanilide
Synonyms
Atorvastatin Impurity 70;Atorvastatin calcium impurity 66;2-Isobutyryl-N,3-DiphenylacrylaMide;2-Benylidine isobutyryl acetanilide;2-Isobutyryl-3,N-diphenylacrylamide;2-Benzylidene isobutyryl acetanilide;Atorvastatin calcium intermediate M-3;2-Isobutyryl-N-phenyl-3-phenylacrylamide;Intermediates of Atorvastatin Calcium M-3;2-BENZYLIDENE-N-PHENYL-ISOBUTYLOYLACETAMIDE
CBNumber
CB8747499
Molecular Formula
C19H19NO2
Formula Weight
293.36
MOL File
125971-57-5.mol
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2-Benzylidene isobutyryl acetanilide Property

Melting point:
143-154°C
Boiling point:
519.4±50.0 °C(Predicted)
Density 
1.151±0.06 g/cm3(Predicted)
vapor pressure 
0-0Pa at 25-72℃
storage temp. 
2-8°C
solubility 
Dichloromethane (Slightly), DMSO (Slightly)
form 
Powder
pka
12.23±0.70(Predicted)
InChI
InChI=1S/C19H19NO2/c1-14(2)18(21)17(13-15-9-5-3-6-10-15)19(22)20-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,20,22)
InChIKey
SMUFHBOCNIUNPT-UHFFFAOYSA-N
SMILES
C(NC1=CC=CC=C1)(=O)C(=CC1=CC=CC=C1)C(=O)C(C)C
LogP
2.2 at 38℃
Surface tension
67.9mN/m at 9.4mg/L and 20℃
CAS DataBase Reference
125971-57-5(CAS DataBase Reference)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

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

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N-Bromosuccinimide Price

TRC
Product number
I781040
Product name
2-Isobutyryl-N-phenyl-3-phenylacrylamide(E/Zmixture)
Packaging
10g
Price
$120
Updated
2021/12/16
AK Scientific
Product number
P281
Product name
2-Benzylidene-N-phenyl-isobutyloylacetamide
Packaging
10g
Price
$34
Updated
2021/12/16
AK Scientific
Product number
J98775
Product name
2-Benzylidene-N-phenyl-isobutyloylacetamide
Packaging
25g
Price
$49
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0077623
Product name
2-BENZYLIDENE ISOBUTYRYL ACETANILIDE
Purity
95.00%
Packaging
10MG
Price
$715.52
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0077623
Product name
2-BENZYLIDENE ISOBUTYRYL ACETANILIDE
Purity
95.00%
Packaging
100MG
Price
$1904.02
Updated
2021/12/16
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2-Benzylidene isobutyryl acetanilide Chemical Properties,Usage,Production

Chemical Properties

White Solid

Uses

Intermediate for the synthesis of pyrrole derivatives.

Synthesis

124401-38-3

100-52-7

125971-57-5

To a reaction flask equipped with a thermometer and a 1000 mL mechanical stirrer, 41 g (0.2 mol) of the second intermediate, 2-methyl-3,5-dicarbonyl-5-anilino-butane, and 250 mL of n-heptane were added under nitrogen protection. Heating was refluxed to remove the water generated and the reaction lasted for about 6 hours. After the reaction system was cooled to room temperature, catalyst glycine 4 g and glacial acetic acid 6 g were added sequentially, followed by benzaldehyde 24 g (0.22 mol). The reaction mixture was heated to reflux temperature and the reaction was continued for about 8 hours, during which the reaction progress was monitored by TLC. After completion of the reaction, it was cooled to room temperature and the reaction mixture was washed with 50 mL of saturated sodium chloride solution. After addition of 100 mL of n-heptane, the organic phase was separated and dried over anhydrous sodium sulfate. The filtrate was concentrated under reduced pressure to give 46 g of the target product 4-methyl-3-oxo-N-phenyl-2-(benzylidene)pentanamide.

References

[1] Organic and Biomolecular Chemistry, 2016, vol. 14, # 7, p. 2291 - 2296
[2] Tetrahedron Letters, 1992, vol. 33, # 17, p. 2283 - 2284
[3] RSC Advances, 2014, vol. 4, # 63, p. 33175 - 33183
[4] Journal of Labelled Compounds and Radiopharmaceuticals, 2000, vol. 43, # 3, p. 261 - 270
[5] Journal of the Indian Chemical Society, 2010, vol. 87, # 4, p. 495 - 499

2-Benzylidene isobutyryl acetanilide Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 2-Benzylidene isobutyryl acetanilide manufacturers

Hangzhou ICH Biofarm Co., Ltd
Product
4-methyl-3-oxo-N-phenyl-2-(phenylmethylene ) pentanamide 125971-57-5
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
200
Release date
2023-06-27

125971-57-5, 2-Benzylidene isobutyryl acetanilideRelated Search:

N,N-Dimethylacetamide N,N-Dimethylformamide Phenyl salicylate Acetanilide Diphenyl ether Acetamide PHENYL VALERATE N,N'-Methylenebisacrylamide Methacrylamide PHENYL RESIN Phenylacetic acid Pentanamide N-Phenyl-isobutyloylacetamide 2-Benzylidene isobutyryl acetanilide

  • 4-METHYL-3-OXO-N-PHENYL-2-(PHENYLMETHYLENE)PENTANAMIDE
  • 2-Benzylidene isobutyryl acetanilide
  • 2-BENZYLIDENE-N-PHENYL-ISOBUTYLOYLACETAMIDE
  • 2-Benylidine isobutyryl acetanilide
  • 4-METHYL-3-OXO-N-PHENYL-2-(PHENYLMETHYLENE)-PENTAN
  • 2-Isobutyryl-N-phenyl-3-phenylacrylamide
  • Atorvastatin Impurity 70
  • 2-Isobutyryl-N-phenyl-3-phenylacrylamide (E/Z mixture)
  • 4-Methyl-3-oxo-N-phenyl-2-(phenylMethylidene)pentanaMide
  • 2-Isobutyryl-N,3-DiphenylacrylaMide
  • PentanaMide, 4-Methyl-3-oxo-N-phenyl-2-(phenylMethylene)-
  • 2-Benzylidene-4-Methyl-3-oxo-N-phenylpentanaMide
  • Intermediates of Atorvastatin Calcium M-3
  • (2Z)-2-benzylidene-4-methyl-3-oxo-N-phenylpentanamide
  • 4-methyl-3-oxo-N-phenyl-2- (phenylmethylene) pentanamideQ: What is 4-methyl-3-oxo-N-phenyl-2- (phenylmethylene) pentanamide Q: What is the CAS Number of 4-methyl-3-oxo-N-phenyl-2- (phenylmethylene) pentanamide Q: What is the storage condition of 4-methyl-3-oxo-N-phenyl-2- (phenylmethylene) pentanamide Q: What are the applications of 4-methyl-3-oxo-N-phenyl-2- (phenylmethylene) pentanamide
  • 125971-57-5 2-Benzylidene isobutyryl acetanilide
  • Atorvastatin calcium impurity 66
  • Atorvastatin calcium intermediate M-3
  • 2-Isobutyryl-3,N-diphenylacrylamide
  • 125971-57-5
  • API intermediates
  • Aromatics
  • Intermediates