(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine
- CAS No.
- 131878-23-4
- Chemical Name:
- (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine
- Synonyms
- (R)-1-Benzyl-3-NBoc-aMinopyrrolidin;(R)-1-BENZYL-3-N-BOC-AMINO-PYRROLIDINE;TERT-BUTYL(R)-1-BENZYLPYRROLIDIN-3-YLCARBAMATE;(R)-Tert-butyl 1-benzylpyrrolidin-3-ylcarbamate;(R)-(+)-1-Benzyl-3-(Boc-amino)pyrrolidine;(R)-1-BENZYL-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE;(R)-1-BENZLY-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE;tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate;(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine;(R)-(1-BENZYL-PYRROLIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
- CBNumber:
- CB9763580
- Molecular Formula:
- C16H24N2O2
- Molecular Weight:
- 276.37
- MDL Number:
- MFCD01321148
- MOL File:
- 131878-23-4.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 77-81 °C(lit.) |
|---|---|
| Boiling point | 385.1±31.0 °C(Predicted) |
| Density | 1.08 |
| refractive index | 18.5 ° (C=2, EtOH) |
| storage temp. | 2-8°C |
| solubility | almost transparency in Methanol |
| form | powder to crystal |
| pka | 12.31±0.20(Predicted) |
| color | White to Almost white |
| optical activity | [α]20/D +6°, c = 1% in chloroform |
| InChI | 1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m1/s1 |
| InChIKey | PHOIDJGLYWEUEK-CQSZACIVSA-N |
| SMILES | CC(C)(C)OC(=O)N[C@@H]1CCN(C1)Cc2ccccc2 |
| CAS DataBase Reference | 131878-23-4(CAS DataBase Reference) |
| UNSPSC Code | 12352005 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H315-H318-H335 | |||||||||
| Precautionary statements | P261-P280-P305+P351+P338 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29339900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine price More Price(42)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 649961 | (R)-(+)-1-Benzyl-3-(Boc-amino)pyrrolidine 97% | 131878-23-4 | 1g | $68.7 | 2023-01-07 | Buy |
| TCI Chemical | B1932 | (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine >98.0%(GC)(T) | 131878-23-4 | 5g | $61 | 2026-04-30 | Buy |
| Usbiological | 267041 | (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine Asreported | 131878-23-4 | 1g | $305 | 2026-06-03 | Buy |
| Usbiological | 267041 | (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine Asreported | 131878-23-4 | 2g | $416 | 2026-06-03 | Buy |
| Usbiological | 267041 | (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine Asreported | 131878-23-4 | 5g | $585 | 2026-06-03 | Buy |
(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine Chemical Properties, Uses, Production
Synthesis
24424-99-5
114715-39-8
131878-23-4
The general procedure for the synthesis of (R)-1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine from di-tert-butyl dicarbonate and (R)-1-benzyl-3-amino pyrrolidine was as follows: first, sodium bicarbonate (5.92 g, 70.5 mmol) was dissolved in 118 mL of deionized water, and then this solution was added to a 118 mL acetonitrile solution of (R)-(+)-benzylamino pyrrolidine 1a (5.00 g, 28.4 mmol) in 118 mL of acetonitrile solution. The mixture was stirred at room temperature for 10 minutes. Subsequently, di-tert-butyl dicarbonate (6.22 g, 28.5 mmol) was added and stirring was continued overnight at room temperature. After completion of the reaction, the reaction solution was concentrated under reduced pressure and the residue was extracted three times with dichloromethane. The organic layers were combined, dried over anhydrous sodium sulfate, filtered and concentrated. The residue was purified by fast column chromatography (eluent ratio methanol: dichloromethane = 2:98). Finally, the solvent was removed in vacuum to afford 4.24 g of tert-butyl (R)-(1-benzylpyrrolidin-3-yl)carbamate in 65.2% yield. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 7.36-7.26 (m, 5H), 4.86 (bs, 1H), 4.18 (bs, 1H), 3.61 (s, 2H), 2.79 (bs, 1H), 2.65-2.61 (m, 1H), 2.54 (d, J=8.0 Hz, 1H), 2.34- 2.25 (m, 2H), 1.61-1.51 (m, 1H), 1.46 (s, 9H). The specific optical rotation [α]D was +2.5° (c 0.620, CHCl3).
References
[1] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 1495 - 1510
[2] Journal of Medicinal Chemistry, 2001, vol. 44, # 11, p. 1815 - 1826
[3] Journal of Medicinal Chemistry, 2002, vol. 45, # 3, p. 721 - 739
(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44852 | 61 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| BioBioPha Co., Ltd. | 0871-65217109 | y.liu@mail.biobiopha.com | China | 5641 | 65 |
| TOKYO CHEMICAL INDUSTRY CO., LTD. | 03-36680489 | Sales-JP@TCIchemicals.com | Japan | 28364 | 80 |
| TCI Europe | 320-37350700 | sales@tcieurope.eu | Europe | 23654 | 75 |
View Latest Price from (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-07-06 | (3R)-(+)-1-BENZYL-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
131878-23-4
|
$8.00 | 1KG | 99% | 10tons | Career Henan Chemical Co |
-
- (3R)-(+)-1-BENZYL-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
131878-23-4
- $8.00
- 99%
- Career Henan Chemical Co
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