2-Benzylidene isobutyryl acetanilide
- CAS No.
- 125971-57-5
- Chemical Name:
- 2-Benzylidene isobutyryl acetanilide
- Synonyms
- 4-METHYL-3-OXO-N-PHENYL-2-(PHENYLMETHYLENE)PENTANAMIDE;Atorvastatin Impurity 70;Atorvastatin calcium impurity 66;2-Benylidine isobutyryl acetanilide;2-Isobutyryl-N,3-DiphenylacrylaMide;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
- CBNumber:
- CB8747499
- Molecular Formula:
- C19H19NO2
- Molecular Weight:
- 293.36
- MDL Number:
- MFCD00671709
- MOL File:
- 125971-57-5.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| REACH Registrations | Inactive |
2-Benzylidene isobutyryl acetanilide price More Price(42)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TRC | TRC-I781040-1G | 2-Isobutyryl-N-phenyl-3-phenylacrylamide (E/Z mixture) | 125971-57-5 | 1g | $154 | 2026-06-03 | Buy |
| TRC | TRC-I781040-10G | 2-Isobutyryl-N-phenyl-3-phenylacrylamide (E/Z mixture) | 125971-57-5 | 10g | $167 | 2026-06-03 | Buy |
| TRC | TRC-I781040-100G | 2-Isobutyryl-N-phenyl-3-phenylacrylamide (E/Z mixture) | 125971-57-5 | 100g | $1187 | 2026-06-03 | Buy |
| Biosynth | FI57579 | 2-Isobutyryl-N-phenyl-3-phenylacrylamide | 125971-57-5 | 5g | $181.45 | 2026-06-04 | Buy |
| Biosynth | FI57579 | 2-Isobutyryl-N-phenyl-3-phenylacrylamide | 125971-57-5 | 10g | $272.2 | 2026-06-04 | Buy |
2-Benzylidene isobutyryl acetanilide Chemical Properties, Uses, 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
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| JIANGXI AIFEIMU TECHNOLOGY CO.,LTD | 793-33899567 13735087952 | sales@afmpharm.com | China | 51 | 61 |
| Adamas Reagent, Ltd. | 400-6009262 15618770481 | yhx@titansci.com | China | 14098 | 59 |
| Chemsky（shanghai）International Co.,Ltd. | 021-50135380 | shchemsky@sina.com | China | 32273 | 50 |
| Shanghai Sphchem Co., Ltd. | 021-56491756 13512199871 | 2819742715@qq.com | China | 3994 | 55 |
| Shanghai Topbiochem Technology Co., Ltd | 021-58170097 | info@topbiochem.com | China | 9509 | 58 |
| Shanghai Aladdin Bio-Chem Technology Co.,LTD | 400-6206333 13167063860 | anhua.mao@aladdin-e.com | China | 29977 | 65 |
| Shanghai JONLN Reagent Co., Ltd. | 400-0066400 13621662912 | 422131432@qq.com | China | 9970 | 55 |
| Quality Control Solutions Ltd. | 0755-66853366 13670046396 | orders@qcsrm.com | China | 18188 | 56 |
| Chengdu HuaXia Chemical Reagent Co. Ltd | 400-1166-196 13458535857 | cdhxsj@163.com | China | 13323 | 58 |
View Latest Price from 2-Benzylidene isobutyryl acetanilide manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-08-08 | 4-methyl-3-oxo-N-phenyl-2-(phenylmethylene ) pentanamide
125971-57-5
|
1kg | 99% | 200 | Hangzhou ICH Biofarm Co., Ltd |
-
- 4-methyl-3-oxo-N-phenyl-2-(phenylmethylene ) pentanamide
125971-57-5
- 99%
- Hangzhou ICH Biofarm Co., Ltd
