tert-butyl 3-hydroxypent-4-enoate
- Product Name
- 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
- Formula Weight
- 172.22
- MOL File
- 122763-67-1.mol
tert-butyl 3-hydroxypent-4-enoate Property
- 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
- HS Code
- 2918199890
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P310Immediately call a POISON CENTER or doctor/physician.
P321Specific treatment (see … on this label).
P363Wash contaminated clothing before reuse.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- T135655
- Product name
- tert-Butyl3-Hydroxypent-4-enoate
- Packaging
- 100mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- CS-0005933
- Product name
- tert-Butyl3-hydroxypent-4-enoate
- Purity
- 98.75%
- Packaging
- 10g
- Price
- $82
- Updated
- 2021/12/16
- Product number
- 2564AD
- Product name
- tert-Butyl3-hydroxypent-4-enoate
- Packaging
- 1g
- Price
- $87
- Updated
- 2021/12/16
- Product number
- OR303186
- Product name
- tert-Butyl3-hydroxypent-4-enoate
- Packaging
- 500mg
- Price
- $116
- Updated
- 2021/12/16
- Product number
- 2329-1-13
- Product name
- tert-Butyl 3-hydroxypent-4-enoate
- Packaging
- 500mg
- Price
- $128
- Updated
- 2021/12/16
tert-butyl 3-hydroxypent-4-enoate Chemical Properties,Usage,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
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