4-THIOCARBAMOYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Product Name
- 4-THIOCARBAMOYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS No.
- 196811-66-2
- Chemical Name
- 4-THIOCARBAMOYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Synonyms
- 1-Piperazinecarboxylic ac...;1-Boc-4-CarbaMothioylpiperazine;4-Boc-piperazine-1-carbothioamide;4-(tert-Butoxycarbonyl)piperazine-1-;tert-butyl 4-carbamothioylpiperazine-1-carboxylate;4-(tert-Butoxycarbonyl)piperazine-1-thiocarboxamide;4-THIOCARBAMOYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-THIOCARBAMOYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTE...;1-Piperazinecarboxylic acid, 4-(aMinothioxoMethyl)-, 1,1-diMethylethyl ester
- CBNumber
- CB1231162
- Molecular Formula
- C10H19N3O2S
- Formula Weight
- 245.34
- MOL File
- 196811-66-2.mol
4-THIOCARBAMOYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Property
- Boiling point:
- 354.7±52.0 °C(Predicted)
- Density
- 1.214±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 16.15±0.20(Predicted)
- Appearance
- light yellow solid
- CAS DataBase Reference
- 196811-66-2
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.
N-Bromosuccinimide Price
- Product number
- FB140736
- Product name
- tert-Butyl 4-carbamothioylpiperazine-1-carboxylate
- Packaging
- 1g
- Price
- $63
- Updated
- 2021/12/16
- Product number
- FB140736
- Product name
- tert-Butyl 4-carbamothioylpiperazine-1-carboxylate
- Packaging
- 2g
- Price
- $109
- Updated
- 2021/12/16
- Product number
- W4174
- Product name
- 1-Boc-4-Carbamothioylpiperazine
- Packaging
- 5g
- Price
- $203
- Updated
- 2021/12/16
- Product number
- FB140736
- Product name
- tert-Butyl 4-carbamothioylpiperazine-1-carboxylate
- Packaging
- 5G
- Price
- $217
- Updated
- 2021/12/16
- Product number
- 074536
- Product name
- 1-Boc-4-Carbamothioylpiperazine
- Purity
- 95+%
- Packaging
- 1g
- Price
- $347
- Updated
- 2021/12/16
4-THIOCARBAMOYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Chemical Properties,Usage,Production
Synthesis
6160-65-2
57260-71-6
196811-66-2
To a solution of N-Boc-piperazine (5.0 g, 26.88 mmol) in anhydrous THF (50 mL) was added N,N'-thiocarbonyl diimidazole (5.48 g, 29.56 mmol) at room temperature and the reaction was stirred for 2 hours. Subsequently, the reaction mixture was heated to 50 °C for 1 hour. Upon completion of the reaction, the mixture was cooled to 0 °C and methanol ammonia solution (50 mL, 7 N) was slowly added. The resulting mixture was stirred at 60 °C for 20 hours. At the end of the reaction, the reaction mixture was diluted with water and extracted with EtOAc. The organic layers were combined and dried with anhydrous Na2SO4 and subsequently concentrated under vacuum. The crude product was purified by fast chromatography to afford the target compound 4-Boc-piperazine-1-thioamide. Yield: 4.0 g (92% yield) as a white solid.1H NMR (400 MHz, DMSO-d6) δ: 9.2 (m, 2H), 3.16-3.14 (m, 2H), 2.49-2.48 (m, 6H), 1.30 (s, 9H). lcms (method A): 246.2 (M + H), retention time 2.93 min. Purity 95.3% (max).
References
[1] Patent: WO2016/30443, 2016, A1. Location in patent: Page/Page column 106
[2] Patent: WO2017/144637, 2017, A1. Location in patent: Page/Page column 39
[3] Patent: US2010/197703, 2010, A1. Location in patent: Page/Page column 77
[4] Patent: WO2015/48662, 2015, A2. Location in patent: Page/Page column 105
[5] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 4, p. 1613 - 1631
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- Product
- 4-THIOCARBAMOYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 196811-66-2
- Price
- US $6.60/IU
- Min. Order
- 1KG
- Purity
- 98%-99%
- Supply Ability
- 1kg-100kg
- Release date
- 2020-01-07