ChemicalBook > CAS DataBase List > 3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester

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

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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)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36/37/39
Hazard Note: Irritant
HS Code: 2933998090

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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

Sigma-Aldrich

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

Sigma-Aldrich

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

TRC

Product number: D486863
Product name: 3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylicacid2-tert-butylester4-ethylester
Packaging: 250mg
Price: $55
Updated: 2021/12/16

TRC

Product number: D486863
Product name: 3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylicacid2-tert-butylester4-ethylester
Packaging: 500mg
Price: $65
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H23-1-89
Product name: 2-tert-Butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Purity: 98%
Packaging: 1g
Price: $77
Updated: 2021/12/16

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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

Preparation Products

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View Lastest Price from 3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester manufacturers

WUHAN FORTUNA CHEMICAL CO., LTD

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

Career Henan Chemical Co

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

86770-31-2, 3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl esterRelated Search:

Pyrrolidine Ethylparaben Ethyl acrylate Ethyl acetate 2-Butoxyethanol Tris(trimethylsilyl)phosphate N-Vinyl-2-pyrrolidone Butyl acetate Buprofezin N-Methyl-2-pyrrolidone 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester Polyvinylpyrrolidone Pyrrole-2-carboxylic acid 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate AcidEster 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

3,5-dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester

3,5-DIMETHYLPYRROLE-2,4-DICARBOXYLIC ACID 4-ETHYL ESTER-2-T-BUTYL ESTER

3,5-DIMETHYLPYRROLE-2,4-DICARBOXYLIC ACID 4-ETHYL ESTER-2-TERT-BUTYL ESTER

3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID-2-BUTYL-4-ETHYL ESTER

3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER 4-ETHYL ESTER

2-TERT-BUTYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE

SALOR-INT L157929-1EA

2-tert-Butyl 4-ethyl 3,5-dimethylpyrrole-2,4-dicarboxylate

3,5-Dimethylpyprole-2,4-DicarboxylicAcid2-T-ButylEster-4-

3,5-Dimethyl-1H-Pyrrole-2,4-Di

2-tert-Butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate 98%

1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-(1,1-dimethylethyl)4-ethylester(9CI)

3,5-Dimethylpyrrole-2,4-dicarboxylic acid 4-ester-2-butyl ester

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-

3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID-2-BUTYL-4-ETHYL ESTER 98+%

1H-Pyrrole-2,4-dicarboxylic acid, 3,5-diMethyl-, 2-(1,1-diMethylethyl) 4-ethyl ester

3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester

3,5-DimEthylpyrrole-2,4-Dicarboxylic Acid 2-t-Butyl Ester-4-Ethyl

Sunitinib Impurity 39

3,5-Dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-...

86770-31-2

Intermediate of sunitinib malate

Organic acids

API intermediates

Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines

Pharmaceutial intermediates

HANTZSCH