3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester
- Product Name
- 3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester
- CAS No.
- 86770-31-2
- Chemical Name
- 3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester
- Synonyms
- SALOR-INT L157929-1EA;Sunitinib Impurity 39;3,5-Dimethyl-1H-Pyrrole-2,4-Di;3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-;3,5-Dimethylpyprole-2,4-DicarboxylicAcid2-T-ButylEster-4-;2-tert-Butyl 4-ethyl 3,5-dimethylpyrrole-2,4-dicarboxylate;2-TERT-BUTYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE;3,5-Dimethylpyrrole-2,4-dicarboxylic acid 4-ester-2-butyl ester;3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-...;3,5-DimEthylpyrrole-2,4-Dicarboxylic Acid 2-t-Butyl Ester-4-Ethyl
- CBNumber
- CB1461538
- Molecular Formula
- C14H21NO4
- Formula Weight
- 267.32
- MOL File
- 86770-31-2.mol
3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester Property
- Boiling point:
- 386.8±37.0 °C(Predicted)
- Density
- 1.103±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 14.56±0.50(Predicted)
- form
- solid
- color
- White
- CAS DataBase Reference
- 86770-31-2(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2933998090
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.
N-Bromosuccinimide Price
- Product number
- L157929
- Product name
- 2-TERT-BUTYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
- Purity
- Aldrich<sup>CPR</sup>
- Packaging
- 1 unit
- Price
- $30.7
- Updated
- 2025/07/31
- Product number
- L157929
- Product name
- 2-TERT-BUTYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
- Purity
- AldrichCPR
- Packaging
- 25MG
- Price
- $29.8
- Updated
- 2024/03/01
- Product number
- D486863
- Product name
- 3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylicacid2-tert-butylester4-ethylester
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- D486863
- Product name
- 3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylicacid2-tert-butylester4-ethylester
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- J50614
- Product name
- 3,5-Dimethylpyrrole-2,4-dicarboxylicacid2-t-butylester-4-ethylester
- Packaging
- 1g
- Price
- $21
- Updated
- 2021/12/16
3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester Chemical Properties,Usage,Production
Chemical Properties
White or white crystalline
Synthesis
1694-31-1
141-97-9
86770-31-2
1. a solution of tert-butyl acetoacetate (31.65 g, 200 mmol) in acetic acid (40 mL) was cooled to 5 °C in an ice bath. 2. slowly inject the NaN02 solution (14.00 g dissolved in water) into the reaction mixture over a period of 20 minutes, maintaining an internal temperature of no more than 15°C. The syringe was washed with water (2 x 3mL) and the wash solution was added to the mixture. 3. The reaction mixture was stirred on a melting ice bath in an open flask overnight (16 hours). 4. In another 3-necked 1L round-bottomed flask equipped with a large egg-shaped stirring bar, an internal thermometer, and a dosing funnel, anhydrous sodium acetate (20 g) and ethyl acetoacetate (29.0 g, 1.1 eq.) were dissolved in 100 mL of acetic acid and placed in an oil bath at 60 °C. 5. Zn powder (10 g, Aldrich, <10 μm) was added with vigorous stirring, followed by dropwise addition of the nitrosation mixture (from Steps 1-3). The dropwise addition process was continued for 45 min while the remaining Zn powder (40 g, ~5 g at a time, at intervals of a few minutes) was added in portions, keeping the internal temperature of the flask below 85 °C. 6. The addition funnel was washed with acetic acid (3 x 10 mL), the washings were added to the mixture and stirring was continued for 1 h at 60 °C. 7. Dilute the reaction mixture by adding 100 mL of water and continue stirring at 60 °C for 1 hour. 8. Pour the reaction mixture into a large beaker, dilute with 0.5 L of water, add crushed ice (total mixture volume of 1.5 L) and place on an ice bath and stir for 1 hour. 9. The precipitate was collected by filtration, washed thoroughly with water and dried by suction. 10. The crude product was dissolved in a mixture of ethanol and ethyl acetate (1:1, 0.5 L), heated gently, filtered to remove the remaining Zn powder and the filtrate was evaporated to dryness. 11. Suspend the solid residue in 60mL of acetonitrile and place in a refrigerator (-20°C) overnight. 12. The precipitate was collected by filtration, washed with cold acetonitrile, dried by suction and dried under high vacuum to give a white sugar-like crystalline solid (35.55 g, 66.5%). 1H-NMR (CDCl3,400MHz): δ 8.93 (br s, 1H), 4.29 (q, J=7.1Hz, 2H), 2.53 (s, 3H), 2.50 (s, 3H), 1.57 (s, 9H), 1.36 (t, J=7.1Hz, 3H).
References
[1] Patent: WO2011/119777, 2011, A2. Location in patent: Page/Page column 31
[2] Patent: WO2009/157011, 2009, A1. Location in patent: Page/Page column 27
[3] Patent: CN108191835, 2018, A. Location in patent: Paragraph 0024-0025
[4] Journal of the American Chemical Society,
[5] Journal of the American Chemical Society, 2009, vol. 131, p. 8578 - 8586
3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester Preparation Products And Raw materials
Raw materials
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View Lastest Price from 3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester manufacturers
- Product
- 3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester 86770-31-2
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99%min
- Supply Ability
- 1000kg
- Release date
- 2021-11-20
- Product
- 3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester 86770-31-2
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2018-12-22