(S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS No.
- 101410-18-8
- Chemical Name:
- (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester
- Synonyms
- 1-Pyrrolidineca;1-N-Boc-thioprolinamide;N-Boc-thio-L-prolinamide;BOC-(S)-Pyrrolidine-2-Thiocarboxamide;(S)-1-Boc-pyrrolidine-2-carbothioamide;N-BOC-(S)-Pyrrolidine-2-thiocarboxamide;TERT-BUTYL2(S)-THIOCARBAMOYLPYRROLIDINE-1-CARBOXYLATE;(S)-tert-butyl 2-thiocarbaMoylpyrrolidine-1-carboxylate;tert-butyl (S)-2-carbamothioylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate
- CBNumber:
- CB5386725
- Molecular Formula:
- C10H18N2O2S
- Molecular Weight:
- 230.33
- MDL Number:
- MFCD06738835
- MOL File:
- 101410-18-8.mol
- MSDS File:
- SDS
| Melting point | 195-199 °C(Solv: tetrahydrofuran (109-99-9)) |
|---|---|
| Boiling point | 339.5±52.0 °C(Predicted) |
| Density | 1.191±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 12.98±0.20(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-6-4-5-7(12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)/t7-/m0/s1 |
| InChIKey | KPAOKCBKJXBXNI-ZETCQYMHSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCC[C@H]1C(N)=S |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
(S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester price More Price(57)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| AK Scientific | J61419 | (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester 95% | 101410-18-8 | 250mg | $30 | 2026-06-04 | Buy |
| AK Scientific | J61419 | (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester 95% | 101410-18-8 | 1g | $84 | 2026-06-04 | Buy |
| AK Scientific | J61419 | (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester 95% | 101410-18-8 | 5g | $409 | 2026-06-04 | Buy |
| AK Scientific | B399 | (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester 98% | 101410-18-8 | 250mg | $42 | 2026-06-04 | Buy |
| AK Scientific | B399 | (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester 98% | 101410-18-8 | 1g | $117 | 2026-06-04 | Buy |
(S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester Chemical Properties, Uses, Production
Synthesis
35150-07-3
117175-41-4
General procedure for the synthesis of tert-butyl (R)-2-thiocarboxamido pyrrolidine-1-carboxylate from N-tert-butoxycarbonyl-L-prolinamide: (S)-1-(tert-butoxycarbonyl)prolinamide (9.0 g, 42.0 mmol) and Lawesson's reagent (8.5 g, 21.0 mmol) were dissolved in anhydrous THF (55 mL) and the reaction was stirred for 3.5 hours at room temperature under nitrogen protection. The reaction was stirred at room temperature for 3.5 h under nitrogen protection. After completion of the reaction, the solvent was removed by distillation under reduced pressure. Saturated aqueous NaHCO3 (100 mL) was added to the residue and stirring was continued for 1 hour. The aqueous phase suspension was extracted with EtOAc/CH2Cl2 (1:1, 400 mL), the organic phase was washed with saturated aqueous NaHCO3 solution (2 x 100 mL), and the combined aqueous phases were then extracted with EtOAc/CH2Cl2 (200 mL). All organic extracts were combined, dried with Na2SO4 and concentrated under reduced pressure to give tert-butyl (S)-2-thiocarbonylpyrrolidine-1-carboxylate as a white solid (8.74 g, 90% yield) with a melting point (EtOAc) of 190-192 °C. [α]D -103.4 (c 1.00, CHCl3). IR (KBr) 3380, 3202, 2981, 2881, 1671, 1411, 1166 cm-1. 1H NMR (400 MHz, CDCl3) δ= 1.41-1.50 (m, 9H), 1.65-2.75 (m, 4H), 3.22- 3.74 (m, 2H), 4.67 (dd, J = 8.0 and 3.6 Hz, 1H) ppm. HRMS (ESI) m/z calculated value C10H19N2O2S (M + H) 231.1162, measured value 231.1161.
References
[1] Journal of the American Chemical Society, 2002, vol. 124, # 6, p. 916 - 917
[2] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 7, p. 2229 - 2233
[3] Tetrahedron Letters, 2011, vol. 52, # 42, p. 5435 - 5437
[4] Patent: US2011/65726, 2011, A1. Location in patent: Page/Page column 12
[5] Journal of Medicinal Chemistry, 2017, vol. 60, # 1, p. 228 - 247
(S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Tengyi Chemical Technology Co., Ltd. | 17602173738 | 613666989@qq.com | China | 300 | 58 |
| Pure Chemistry Scientific Inc. | 001-857-928-2050 or 1-888-588-9418 | sales@chemreagents.com | United States | 10174 | 62 |
| Shanghai Sphchem Co., Ltd. | 021-56491756 13512199871 | 2819742715@qq.com | China | 3994 | 55 |
| Chengdu HappySyn Pharmaceutical Technology Co., Ltd. | 85114309 18982182443 | yangli@happysyn.com | China | 2297 | 55 |
| Beijing Yisiyan Technology Research Center | 010-56645598 13366904824; | bjkaida@163.com | China | 1597 | 59 |
| SynAsst Chemical. | 021-60343070 | China | 12731 | 55 | |
| Shanghai Yolne Chemical Co., Ltd. | 021-62960152 | 934678158@qq.com | China | 9886 | 55 |
| Shanghai Hong-chuang Pharma Tech Co., Ltd. | 18151128828 | hc-sales@foxmail.com | China | 2635 | 55 |
| Shanghai Carlow Chemicals Co., Ltd. | 21-33526724 18930996265 | info@carlowchem.com | China | 1996 | 58 |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
View Latest Price from (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2020-01-09 | (S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
101410-18-8
|
$1.00 | 1KG | 99% | 200kg | Career Henan Chemical Co |
-
- (S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
101410-18-8
- $1.00
- 99%
- Career Henan Chemical Co
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