4-羧甲基哌嗪-1-甲酸叔丁酯
4-Boc-1-piperazineacetic acid
CAS: 156478-71-6
Molecular Formula: C11H20N2O4
4-羧甲基哌嗪-1-甲酸叔丁酯 - Names and Identifiers
4-羧甲基哌嗪-1-甲酸叔丁酯 - Physico-chemical Properties
| Molecular Formula | C11H20N2O4 |
| Molar Mass | 244.29 |
| Density | 1.174 |
| Boling Point | 365.5±37.0 °C(Predicted) |
| Flash Point | 174.851°C |
| Vapor Presure | 0mmHg at 25°C |
| pKa | 2.40±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.501 |
| MDL | MFCD02682402 |
4-羧甲基哌嗪-1-甲酸叔丁酯 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| WGK Germany | 3 |
| Hazard Class | IRRITANT |
4-羧甲基哌嗪-1-甲酸叔丁酯 - Reference Information
| Uses | 4-Boc-1-piperazine acetic acid is an organic intermediate. |
| Preparation | 4-Boc-1-piperazine acetic acid can be prepared from piperazine-1-carboxylic acid tert-butyl ester as raw material. 4-(2-ethoxy-2-oxoethyl) piperazin-1-carboxylic acid tert-butyl ester, and then hydrolyze the ester group to obtain 4-Boc-1-piperazinacetic acid. Potassium carbonate (3.71g,26.8mmol) and ethyl bromoacetate (1.2mL,10.8mmol) were added to DMF(14mL) solution of stirred piperazine-1-carboxylate (2g,10.7mmol) under room temperature and inert atmosphere. The reaction mixture was stirred at room temperature for 16h. After consumption of the feedstock (monitored by TLC), the reaction mixture was diluted with water (50mL) and extracted with EtOAc(2 × 50mL). The combined organic extract was dried with anhydrous Na2SO4 and concentrated under reduced pressure to obtain 4-(2-ethoxy-2-oxoethyl) piperazine-1-carboxylic acid tert-butyl ester (2.8g,10.29mmol,95%) as a yellow oil. 1H NMR(500MHz,DMSO-d6):δ4.12-4.00(m,2H),3.30(s,4H),3.23(s,2H),2.45(t,J = 4.6Hz,4H),1.39(s,9H),1.18(t,J = 7.1Hz,3H)4-Boc-1-piperazine acetic acid at 0 ℃, lithium hydroxide (1.29g,30.8mmol) was added to a solution of a mixture of stirred 4-(2-ethoxy-2-oxoethyl) piperazine-1-carboxylic acid tert-butyl ester (2.8g,10.29mmol) of THF ∶ MeOH ∶ water (3:1 ∶ 1,30mL). The reaction mixture was gradually warmed to room temperature and stirred for 3h. After consumption of the feedstock (monitored by TLC), the volatiles were concentrated under reduced pressure. The residue was then acidified to pH 4 to pH 5 with a 5% citric acid solution and extracted with EtOAc(2 × 100mL). The combined organic extract was dried with anhydrous Na2SO4 and concentrated under reduced pressure to obtain 4-Boc-1-piperazine acetic acid (200mg, crude) as a yellow oil, which can be used in the next step without further purification. LC-MS: m/z 245.1[M-H] (purity 71.81%) at 1.06RT. |
Last Update：2024-04-09 20:52:54
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View History
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4-叔丁基环己醇, 顺式 +反式
4-异丙基噻唑-2-甲酸乙酯
2,3-二溴-5-硝基吡啶2,3-DIBROMO-5-NITRO PYRIDINE
P-AMINO-DL-PHENYLALANINE CRYSTALLINE
4-(Trifluoromethoxy)phenylboronic aicd
1-乙基-3-(3-二甲基氨基丙基)碳酰二亚胺盐酸盐
2-(乙酰基氨基)丁酸
2-环丙氧基吡啶-4-胺
Manganese(II) chloride bis(lithium chloride) complex solution