TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE
- CAS No.
- 67706-68-7
- Chemical Name:
- TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE
- Synonyms
- Ethyl 4-((tert-butoxycarbonyl)aMino)-3-oxobutanoate;132862;4-(Boc-amino)-3-oxobutanoic acid ethyl ester;TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE;4-[(tert-Butoxycarbonyl)amino]-3-oxobutanoic acid ethyl ester;ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate;Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-, ethyl ester
- CBNumber:
- CB82457268
- Molecular Formula:
- C11H19NO5
- Molecular Weight:
- 245.27
- MDL Number:
- MFCD11616704
- MOL File:
- 67706-68-7.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| Ethyl 4-[(tert-Butoxycarbonyl)amino]-3-oxobutanoate | SCA70668 | 5g | $797.5 |
| Ethyl 4-[(tert-Butoxycarbonyl)amino]-3-oxobutanoate | SCA70668 | 10g | $1036.8 |
| Ethyl 4-[(tert-butoxycarbonyl)-amino]-3-oxobutanoate | 113986 | 1.00g | $529 |
| Ethyl 4-((tert-butoxycarbonyl)amino)-3-oxobutanoate 95+% | E55063 | 250mg | $42 |
| Ethyl 4-((tert-butoxycarbonyl)amino)-3-oxobutanoate 95+% | E55063 | 1g | $60 |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
|---|---|
| Appearance | Light yellow to yellow Liquid |
| InChI | InChI=1S/C11H19NO5/c1-5-16-9(14)6-8(13)7-12-10(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15) |
| InChIKey | MFRFJFDLZKHOFX-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CC(=O)CNC(OC(C)(C)C)=O |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |     GHS05,GHS06,GHS08,GHS09 |
|---|---|
| Signal word | Danger |
| Hazard statements | H310-H302-H315-H318-H370-H373-H317-H341-H335-H410 |
| Precautionary statements | P501-P273-P272-P260-P270-P262-P202-P201-P271-P264-P280-P391-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P310-P304+P340+P312-P305+P351+P338+P310-P403+P233-P405 |
TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE price More Price(38)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Biosynth | SCA70668 | Ethyl 4-[(tert-Butoxycarbonyl)amino]-3-oxobutanoate | 67706-68-7 | 5g | $797.5 | 2026-06-05 | Buy |
| Biosynth | SCA70668 | Ethyl 4-[(tert-Butoxycarbonyl)amino]-3-oxobutanoate | 67706-68-7 | 10g | $1036.8 | 2026-06-05 | Buy |
| Matrix Scientific | 113986 | Ethyl 4-[(tert-butoxycarbonyl)-amino]-3-oxobutanoate | 67706-68-7 | 1.00g | $529 | 2026-05-18 | Buy |
| Synthonix | E55063 | Ethyl 4-((tert-butoxycarbonyl)amino)-3-oxobutanoate 95+% | 67706-68-7 | 250mg | $42 | 2026-05-06 | Buy |
| Synthonix | E55063 | Ethyl 4-((tert-butoxycarbonyl)amino)-3-oxobutanoate 95+% | 67706-68-7 | 1g | $60 | 2026-05-06 | Buy |
TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE Chemical Properties,Uses,Production
Synthesis
4530-20-5
6148-64-7
67706-68-7
(1) Carbonyldiimidazole (10.2 g, 63.1 mmol) was added to a suspension of 2-(tert-butoxycarbonylamino)acetic acid (10 g, 57.1 mmol) in tetrahydrofuran (100 mL) and the reaction was stirred at room temperature for 2 hours. Subsequently, magnesium chloride (5.4 g, 57.1 mmol) and monoethyl malonate potassium salt (9.7 g, 57.1 mmol) were sequentially added to the reaction system and stirring was continued for 1 h at 60 °C. The reaction was completed by filtration. After completion of the reaction, the insoluble material was removed by filtration, and the filtrate was diluted with ethyl acetate (200 mL), washed with 1N hydrochloric acid, saturated aqueous sodium bicarbonate and saturated aqueous sodium chloride in turn, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The resulting residue was purified by silica gel column chromatography [eluent: n-hexane-ethyl acetate (2:1)] to afford ethyl 4-(tert-butoxycarbonylamino)-3-oxobutanoate (11.9 g, 48.5 mmol, 85% yield) as a colorless oil.1H-NMR (CDCl3) δ: 1.29 (3H, t, J = 7.4 Hz), 1.45 (2H, s) , 3.87 (2H, s), 3.96 (3H, s), 4.21 (2H, q, J = 7.2 Hz), 7.08 (1H, d, J = 8.7 Hz), 7.39 (9H, s), 3.49 (2H, s), 4.14 (2H, d, J = 5.8 Hz), 4.21 (2H, q, J = 7.4 Hz), 5.15-5.24 (1H, br).
References
[1] Organic Letters, 2005, vol. 7, # 2, p. 215 - 218
[2] Patent: EP1650201, 2006, A1. Location in patent: Page/Page column 23-24
[3] Patent: WO2016/118565, 2016, A1. Location in patent: Paragraph 00399
[4] Journal of Medicinal Chemistry, 2008, vol. 51, # 3, p. 487 - 501
TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE Preparation Products And Raw materials
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