40004-08-8
1-(ETHOXYCARBONYLMETHYL)PIPERAZINE
CAS: 40004-08-8
Molecular Formula: C8H16N2O2
40004-08-8 - Names and Identifiers
40004-08-8 - Physico-chemical Properties
| Molecular Formula | C8H16N2O2 |
| Molar Mass | 172.22 |
| Density | 1.048 g/mL at 20 °C (lit.) |
| Boling Point | 127°C 13mm |
| Flash Point | 127°C/13mm |
| Water Solubility | Soluble in water, chloroform, and methanol. |
| Solubility | Chloroform, Methanol |
| Appearance | Shape Oil, color Clear Thick |
| Color | Clear Thick |
| BRN | 743260 |
| pKa | 8.96±0.10(Predicted) |
| Storage Condition | -20°C |
| Stability | Air Sensitive |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.472 |
| MDL | MFCD00040739 |
| Use | Application 1-(ethoxycarbonyl methyl) piperazine can be used as an intermediate in organic synthesis and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes. |
40004-08-8 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
40004-08-8 - Preparation
Step A: 4-Ethoxycarbonylmethyl-piperazine-1-tert-butyl formate
Stir piperazin-1-tert-butyl formate (2.62g,14mmol), cesium carbonate (5g,15mmol) and ethyl bromoacetate (1.56ml,14mmol) at room temperature for 1 hour. The mixture is divided between water (200ml) and ether (2 x 100ml). The combined organic phase was dried with magnesium sulfate and concentrated to obtain a yellow oil, which was crystallized to obtain a pale yellow solid form of 4-ethoxycarbonylmethyl-piperazine-1-formate tert-butyl ester (2.6g).
1H N.M.R(CDCl3)& delta;= 1.24(3H,t,J = 7.1Hz),1.43(9H,s),2.49(4H,t,J = 5Hz),3.20(2H,s),3.44(4H,t,J = 4.8Hz),4.16(2H,q,J = 7.1Hz).
Step B:1-(ethoxycarbonyl methyl) piperazine
Stir the solution of 4-ethoxycarbonylmethyl-piperazine-1-formate tert-butyl ester in 90% trifluoroacetic acid (5ml) for 3 hours. The mixture was alkalized with a saturated sodium bicarbonate solution and concentrated. The residue was ground with ethyl acetate (30ml) and filtered. Concentrate the filtrate to obtain 1-(ethoxycarbonyl methyl) piperazine (about 1.5g) in the form of yellow oil.
Last Update：2024-04-10 22:29:15
40004-08-8 - Nature
| Solubility | Chloroform, Methanol |
| BRN | 743260 |
Last Update：2024-04-09 21:31:49
40004-08-8 - Security information
| Hazard Note | Irritant |
Last Update：2024-04-09 20:48:19
40004-08-8 - Reference Information
| application | 1-(ethoxycarbonyl methyl) piperazine can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical generation processes. |
| preparation | step a: 4-ethoxycarbonyl methyl-piperazine -1-tert-butyl formate piperazine -1-tert-butyl formate (2.62g,14mmol), cesium carbonate (5g,15mmol) and bromoacetic acid ethyl ester (1.56ml,14mmol) at room temperature for 1 hour. The mixture is divided between water (200ml) and B ether (2 × 100ml). The combined organic phase was dried with magnesium sulfate and concentrated to obtain a yellow oil, which was crystallized to obtain a pale yellow solid form of 4-ethoxycarbonylmethyl-piperazine-1-formate tert-butyl ester (2.6g). 1H N.M.R(CDCl3)δ = 1.24(3H,t,J = 7.1Hz),1.43(9H,s),2.49(4H,t,J = 5Hz),3.20(2H,s),3.44(4H,t,J = 4.8Hz),4.16(2H,q,J = 7.1Hz). Step B:1-(ethoxycarbonyl methyl) piperazine A solution of 4-ethoxycarbonylmethyl-piperazine-1-formate tert-butyl ester in 90% trifluoroacetic acid (5ml) was stirred for 3 hours. The mixture was alkalized with a saturated sodium bicarbonate solution and concentrated. The residue was ground with ethyl acetate (30ml) and filtered. Concentrate the filtrate to obtain 1-(ethoxycarbonyl methyl) piperazine (about 1.5g) in the form of yellow oil. |
Last Update：2024-04-09 21:54:55
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