Methyl N-benzyl-3-pyrrolidinecarboxylate
- CAS No.
- 17012-21-4
- Chemical Name:
- Methyl N-benzyl-3-pyrrolidinecarboxylate
- Synonyms
- METHYL 1-BENZYLPYRROLIDINE-3-CARBOXYLATE;1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER;Methyl 1-benzyllpyrrolidi...;Methyl 1-benzyl-3-pyrrolidinecarboxylate;Methyl N-benzyl-3-pyrrolidinecarboxylate;Methyl 1-benzyllpyrrolidine-3-carboxylate;MethylN-benzylpyrrolidine-3-carboxylate,97%;Methyl 1-benzylpyrrolidine-3-carboxylate 97%;Methyl N-benzylpyrrolidine-3-carboxylate, 97%;N-benzyl-pyrrolidine-3-carboxylicacidmethylester
- CBNumber:
- CB1183304
- Molecular Formula:
- C13H17NO2
- Molecular Weight:
- 219.28
- MDL Number:
- MFCD04038678
- MOL File:
- 17012-21-4.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Boiling point | 98℃/0.2mm |
|---|---|
| Density | 1.08 |
| refractive index | 1.5211 |
| storage temp. | 2-8°C |
| form | clear liquid |
| pka | 8.34±0.40(Predicted) |
| color | Colorless to Light orange to Yellow |
| Water Solubility | Sparingly soluble in water.(0.26 g/L) (25°C), |
| InChI | InChI=1S/C13H17NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3 |
| InChIKey | GDWFCUOFVSNTTG-UHFFFAOYSA-N |
| SMILES | N1(CC2=CC=CC=C2)CCC(C(OC)=O)C1 |
| CAS DataBase Reference | 17012-21-4 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H319 | |||||||||
| Precautionary statements | P305+P351+P338 | |||||||||
| HS Code | 2933998090 | |||||||||
| NFPA 704 |
|
Methyl N-benzyl-3-pyrrolidinecarboxylate price More Price(52)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | M2866 | Methyl 1-Benzylpyrrolidine-3-carboxylate >98.0%(GC)(T) | 17012-21-4 | 1g | $56 | 2026-04-30 | Buy |
| TCI Chemical | M2866 | Methyl 1-Benzylpyrrolidine-3-carboxylate >98.0%(GC)(T) | 17012-21-4 | 5g | $166 | 2026-04-30 | Buy |
| Apolloscientific | OR52084 | Methyl 1-benzylpyrrolidine-3-carboxylate >97% | 17012-21-4 | 1g | $21 | 2026-06-04 | Buy |
| Apolloscientific | OR52084 | Methyl 1-benzylpyrrolidine-3-carboxylate >97% | 17012-21-4 | 5g | $24 | 2026-06-04 | Buy |
| Apolloscientific | OR52084 | Methyl 1-benzylpyrrolidine-3-carboxylate >97% | 17012-21-4 | 25g | $74 | 2026-06-04 | Buy |
Methyl N-benzyl-3-pyrrolidinecarboxylate Chemical Properties, Uses, Production
Uses
It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.
Synthesis Reference(s)
The Journal of Organic Chemistry, 33, p. 3637, 1968 DOI: 10.1021/jo01273a063
Synthesis
93102-05-7
292638-85-8
17012-21-4
A trifluoroacetic acid solution of 44.0 g (0.4 mol) at a mass concentration of 10% was prepared by adding 1530.0 g (6.5 mol) of N-(methoxymethyl)-N-(trimethylsilylmethyl)benzylamine, 31.80 g (3.7 mol) of methyl acrylate, and 38 mL of dichloromethane to a 250 mL multi-neck reaction flask. The trifluoroacetic acid solution was added slowly dropwise at 0 °C, and after completion of the dropwise addition, the reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the mixture was concentrated under reduced pressure and the residue was washed sequentially with saturated sodium bicarbonate solution and saturated sodium chloride solution. The organic phases were combined, dried with anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure to give 1420.0 g of 1-benzylpyrrolidine-3-carboxylic acid methyl ester crude product in 100% yield.
References
[1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 19, p. 4861 - 4866
[2] Organic Process Research and Development, 2009, vol. 13, # 2, p. 292 - 296
[3] Synthesis, 2006, # 16, p. 2646 - 2648
[4] Synlett, 2015, vol. 26, # 13, p. 1815 - 1818
[5] Chemical & Pharmaceutical Bulletin, 1985, vol. 33, # 7, p. 2762 - 2766
Methyl N-benzyl-3-pyrrolidinecarboxylate Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai AQBioPharma Co., Ltd. | 13661411401 | yinglv.que@aqbiopharma.com.cn | China | 2976 | 58 |
| Beijing HengPuGao Pharmaceutical Chemistry Technology Co., Ltd. | 010-81520996 13439320863 | hengpugao@126.com | China | 159 | 57 |
| Shanghai G&K Biomedical Scientific Inc. | 021-34502253 13391330186 | info@gksci.com | China | 133 | 52 |
| Shanghai Qitong Pharmaceutical Technology Co., Ltd. | 18918399319 | 24907461@qq.com | China | 259 | 58 |
| Shanghai AQ BioPharma Co., Ltd. | 13512160998; 13512160998 | sales@aqbiopharma.com.cn | China | 3007 | 58 |
| Shanghai Hobor Chemical Co., Ltd | 13918007836 | sales@hoborchem.com | China | 423 | 60 |
| ITIC MEDCHEM(SUZHOU) CO.,LTD. | 0512-68323967 18015559028 | sales@iticmedchem.com | China | 528 | 61 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
View Latest Price from Methyl N-benzyl-3-pyrrolidinecarboxylate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-07-06 | METHYL N-BENZYL-3-PYRROLIDINECARBOXYLATE
17012-21-4
|
$8.00 | 1KG | 99% | 10tons | Career Henan Chemical Co |
-
- METHYL N-BENZYL-3-PYRROLIDINECARBOXYLATE
17012-21-4
- $8.00
- 99%
- Career Henan Chemical Co
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