tert-butyl 3-hydroxypent-4-enoate
- CAS No.
- 122763-67-1
- Chemical Name:
- tert-butyl 3-hydroxypent-4-enoate
- Synonyms
- Vaborbactam Impurity 1;Vaborbactam Related Compound 1;tert-Butyl 3-hydroxy-4-pentenoate;tert-butyl 3-hydroxypent-4-enoate;1,1-Dimethylethyl 3-hydroxy-4-pentenoate;4-Pentenoic acid, 3-hydroxy-, 1,1-diMethylethyl ester;tert-Butyl 3-hydroxypent-4-enoate,98% (stabilized with MEHQ)
- CBNumber:
- CB52628470
- Molecular Formula:
- C9H16O3
- Molecular Weight:
- 172.22
- MDL Number:
- MFCD18207180
- MOL File:
- 122763-67-1.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| tert-Butyl 3-hydroxypent-4-enoate 98% | OR303186 | 5g | $21 |
| tert-Butyl 3-hydroxypent-4-enoate 98% | OR303186 | 25g | $69 |
| tert-Butyl 3-hydroxypent-4-enoate 98% | OR303186 | 100g | $267 |
| tert-Butyl 3-hydroxypent-4-enoate 98% | OR303186 | 500g | $1242 |
| tert-Butyl 3-hydroxypent-4-enoate | 087898 | 1.00g | $187 |
| Boiling point | 238.1±20.0 °C(Predicted) |
|---|---|
| Density | 0.992±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| pka | 13.59±0.20(Predicted) |
| Appearance | Colorless to light yellow Liquid |
| InChI | InChI=1S/C9H16O3/c1-5-7(10)6-8(11)12-9(2,3)4/h5,7,10H,1,6H2,2-4H3 |
| InChIKey | OBFPCKWYDQCBHO-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)CC(O)C=C |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS05 |
|---|---|
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501 |
| HS Code | 2918199890 |
tert-butyl 3-hydroxypent-4-enoate price More Price(43)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Apolloscientific | OR303186 | tert-Butyl 3-hydroxypent-4-enoate 98% | 122763-67-1 | 5g | $21 | 2026-06-04 | Buy |
| Apolloscientific | OR303186 | tert-Butyl 3-hydroxypent-4-enoate 98% | 122763-67-1 | 25g | $69 | 2026-06-04 | Buy |
| Apolloscientific | OR303186 | tert-Butyl 3-hydroxypent-4-enoate 98% | 122763-67-1 | 100g | $267 | 2026-06-04 | Buy |
| Apolloscientific | OR303186 | tert-Butyl 3-hydroxypent-4-enoate 98% | 122763-67-1 | 500g | $1242 | 2026-06-04 | Buy |
| Matrix Scientific | 087898 | tert-Butyl 3-hydroxypent-4-enoate | 122763-67-1 | 1.00g | $187 | 2026-05-18 | Buy |
tert-butyl 3-hydroxypent-4-enoate Chemical Properties,Uses,Production
Synthesis
540-88-5
107-02-8
122763-67-1
Synthesis procedure for tert-butyl 3-hydroxypent-4-enoate (16): n-butyllithium (1.6 M in hexane, 68.8 mL, 110.0 mmol, 1.1 eq.) was added slowly and dropwise to an anhydrous THF (0.2 M) solution of diisopropylamine (11.0 g, 110.0 mmol, 1.1 eq.) at 0 °C. The reaction mixture was stirred at 0 °C for 60 min and then cooled to -78 °C. Subsequently, tert-butyl acetate (11.6 g, 100.0 mmol, 1.0 eq.) was added and stirring was continued at -78 °C for 2 hours. Next, freshly distilled acrolein (5.6 g, 100.0 mmol, 1.0 eq.) was added dropwise and the reaction mixture was warmed to room temperature and stirring was continued for 3 hours. Upon completion of the reaction, distilled water was added for hydrolysis and then extracted with ethyl acetate. The organic layers were combined, dried with anhydrous magnesium sulfate and concentrated under reduced pressure. Finally, the target product tert-butyl 3-hydroxypent-4-enoate (16.2 g, 84 mmol, 94%) was purified by silica gel column chromatography using hexane/ethyl acetate (5:1) as eluent to afford the target product as a colorless oil.
References
[1] Organic letters, 2002, vol. 4, # 13, p. 2205 - 2208
[2] Journal of Medicinal Chemistry, 2010, vol. 53, # 12, p. 4654 - 4667
[3] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 1796 - 1801
[4] European Journal of Organic Chemistry, 2016, vol. 2016, # 2, p. 252 - 254
[5] Tetrahedron Letters, 2009, vol. 50, # 13, p. 1416 - 1418
tert-butyl 3-hydroxypent-4-enoate Preparation Products And Raw materials
tert-butyl 3-hydroxypent-4-enoate Suppliers
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