Tert-butyl3-acetylpyrrolidine-1-carboxylate
- CAS No.
- 858643-95-5
- Chemical Name:
- Tert-butyl3-acetylpyrrolidine-1-carboxylate
- Synonyms
- N-Boc-3-acetyl-pyrrolidine;3-Acetyl-1-Boc-pyrrolidine;1-Boc-3-acetyl-pyrrolidine;Tert-butyl3-acetylpyrrolidine-1-carboxylate;1,1-Dimethylethyl 3-acetyl-1-pyrrolidinecarboxylate;3-Acetyl-pyrrolidine-1-carboxylic acid tert-butyl ester;1-Pyrrolidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl e...;1-Pyrrolidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester
- CBNumber:
- CB12499210
- Molecular Formula:
- C11H19NO3
- Molecular Weight:
- 213.27
- MDL Number:
- MFCD11865235
- MOL File:
- 858643-95-5.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 3-Acetyl-1-Boc-pyrrolidine | A170450 | 100mg | $140 |
| tert-Butyl3-acetylpyrrolidine-1-carboxylate | V8137 | 100mg | $131.6 |
| TERT-BUTYL-3-ACETYLPYRROLIDINE-1-CARBOXYLATE 95.00% | CHM0096954 | 5MG | $501.88 |
| 1-Boc-3-acetyl-pyrrolidine 97.0% | 122155 | 1g | $1304 |
| 1-Boc-3-acetyl-pyrrolidine 98% | 75R0353 | 25g | $1500 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H227-H315-H319-H335 |
| Precautionary statements | P305+P351+P338 |
Tert-butyl3-acetylpyrrolidine-1-carboxylate price More Price(19)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TRC | A170450 | 3-Acetyl-1-Boc-pyrrolidine | 858643-95-5 | 100mg | $140 | 2021-12-16 | Buy |
| AK Scientific | V8137 | tert-Butyl3-acetylpyrrolidine-1-carboxylate | 858643-95-5 | 100mg | $131.6 | 2021-12-16 | Buy |
| American Custom Chemicals Corporation | CHM0096954 | TERT-BUTYL-3-ACETYLPYRROLIDINE-1-CARBOXYLATE 95.00% | 858643-95-5 | 5MG | $501.88 | 2021-12-16 | Buy |
| Matrix Scientific | 122155 | 1-Boc-3-acetyl-pyrrolidine 97.0% | 858643-95-5 | 1g | $1304 | 2021-12-16 | Buy |
| J&W Pharmlab | 75R0353 | 1-Boc-3-acetyl-pyrrolidine 98% | 858643-95-5 | 25g | $1500 | 2021-12-16 | Buy |
Tert-butyl3-acetylpyrrolidine-1-carboxylate Chemical Properties,Uses,Production
Uses
3-Acetyl-1-Boc-pyrrolidine is a boc protected reagent that is used for selective inhibitors of H. influenzae TrmD that mimic tRNA interaction by inducing TrmD lid domain ordering.
Synthesis
569667-93-2
75-16-1
858643-95-5
The general procedure for the synthesis of N-Boc-3-acetylpyrrolidine from tert-butyl 3-(methoxy(methyl)carbamoyl)pyrrolidine-1-carboxylate and methylmagnesium bromide was as follows: tert-butyl 3-(methoxy(methyl)carbamoyl)pyrrolidine-1-carboxylate (4.0 g, 15.50 mmol) was dissolved in THF (70 ml) at 0 °C and under nitrogen protection and stirred. . 3M methylmagnesium bromide ether solution (26 ml, 78 mmol) was added slowly dropwise, keeping the reaction temperature at 0 °C. After the dropwise addition, the reaction mixture was continued to be stirred at 0°C for 30 minutes. Subsequently, the reaction mixture was slowly poured into saturated ammonium chloride solution (1 L) to quench the reaction and extracted with ethyl acetate (2 x 200 ml). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford the crude product tert-butyl 3-acetylpyrrolidine-1-carboxylate (3.0 g, 14.08 mmol), which was used directly in the subsequent reaction without further purification. The product was analyzed by LCMS (Method A) with a retention time of 3.83 min, and the mass spectrum (ES+) showed m/z of 157.89 (M-56).1H NMR (400 MHz, DMSO-d6) δ ppm: 3.77-3.40 (m, 2H), 3.22-3.25 (m, 3H), 2.17 (s, 3H), 2.03- 2.11 (m, 1H), 1.85-1.94 (m, 1H), 1.39 (s, 9H).
References
[1] Journal of Organic Chemistry, 2009, vol. 74, # 5, p. 1932 - 1938
[2] Patent: WO2010/51245, 2010, A1. Location in patent: Page/Page column 53
[3] Patent: US2010/298334, 2010, A1. Location in patent: Page/Page column 71-72
[4] Journal of Medicinal Chemistry, 2013, vol. 56, # 18, p. 7278 - 7288
[5] Patent: WO2017/103614, 2017, A1. Location in patent: Page/Page column 76; 78
Tert-butyl3-acetylpyrrolidine-1-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
Tert-butyl3-acetylpyrrolidine-1-carboxylate Suppliers
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