Ethyl 3-hydroxy-2,2-diMethylpropanoate
- Product Name
- Ethyl 3-hydroxy-2,2-diMethylpropanoate
- CAS No.
- 14002-73-4
- Chemical Name
- Ethyl 3-hydroxy-2,2-diMethylpropanoate
- Synonyms
- Ethyl 3-hydroxy-2,2-diMethylpropanoate;Ethyl 3-hydroxy-2,2-dimethyl propionate;Propanoic acid, 3-hydroxy-2,2-diMethyl-, ethyl ester
- CBNumber
- CB62611248
- Molecular Formula
- C7H14O3
- Formula Weight
- 146.18
- MOL File
- 14002-73-4.mol
Ethyl 3-hydroxy-2,2-diMethylpropanoate Property
- Melting point:
- 39 °C(Solv: methanol (67-56-1))
- Boiling point:
- 160 °C(Press: 12 Torr)
- Density
- 1.007±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.25±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C7H14O3/c1-4-10-6(9)7(2,3)5-8/h8H,4-5H2,1-3H3
- InChIKey
- JBDMHPJPFPMZLI-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(C)(C)CO
Safety
- HS Code
- 2918199890
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
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.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- W3060
- Product name
- Ethyl3-hydroxy-2,2-dimethylpropanoate
- Packaging
- 250mg
- Price
- $80
- Updated
- 2021/12/16
- Product number
- OR941920
- Product name
- Ethyl3-hydroxy-2,2-dimethylpropanoate
- Purity
- 95%
- Packaging
- 250mg
- Price
- $196
- Updated
- 2021/12/16
- Product number
- 35481
- Product name
- Ethyl3-hydroxy-2,2-dimethylpropanoate
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $408
- Updated
- 2021/12/16
- Product number
- OR941920
- Product name
- Ethyl3-hydroxy-2,2-dimethylpropanoate
- Purity
- 95%
- Packaging
- 1g
- Price
- $464
- Updated
- 2021/12/16
- Product number
- CHM0392425
- Product name
- ETHYL-3-HYDROXY-2,2-DIMETHYLPROPANOATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $499.8
- Updated
- 2021/12/16
Ethyl 3-hydroxy-2,2-diMethylpropanoate Chemical Properties,Usage,Production
Synthesis
4835-90-9
75-03-6
14002-73-4
To a dry 500 mL round-bottomed flask (equipped with a magnetic stirring bar, reflux condenser tube, and rubber septum) under nitrogen protection was added 7.09 g (60.0 mmol) of 3-hydroxy-2,2-dimethylpropanoic acid (hydroxypivalic acid, HPA) or 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid (bis-hydroxypivalic acid, BHPA), and 19.55 g ( 60.0 mmol) of dried and freshly ground cesium carbonate (Cs2CO3). Subsequently 150 mL of anhydrous dimethylformamide (DMF) was added and 0.7-1.0 equivalents (40.0-60.0 mmol) of ethyl iodide was added. The reaction mixture was heated to 50-70 °C (oil bath temperature, depending on the boiling point of the halide) overnight under nitrogen atmosphere. After completion of the reaction, the reaction mixture was diluted with ethyl acetate and filtered to remove the precipitate. After the filtrate was neutralized with 1 M hydrochloric acid (HCl) in a small amount, the aqueous phase was extracted with ethyl acetate several times. The organic phases were combined and washed with saturated aqueous sodium bicarbonate (NaHCO3). The organic phase was concentrated under reduced pressure by rotary evaporator and the residue was dissolved in methyl tertiary butyl ether (MTBE). The organic solution is washed five times sequentially with water (to remove residual DMF), washed with brine, dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated under reduced pressure. The product is usually used in the next reaction without further purification or can be purified by subtractive pressure fractionation or silica gel column chromatography (eluent: ethyl acetate/hexane mixture). According to the above method, 4.73 g (40.0 mmol) of 3-hydroxy-2,2-dimethylpropionic acid (HPA) was reacted with 3.23 mL (6.24 g, 40.0 mmol) of ethyl iodide in the presence of 13.03 g (40.0 mmol) of Cs2CO3 in 80 mL of DMF, and after post-processing, 3.40 g (68% yield) of 2-hydroxymethyl ethyl isobutyrate (2) as a yellow liquid without further purification.1H NMR (400 MHz, CDCl3): δ=1.20 (s, 6H), 1.28 (t, J=7.2Hz, 3H), 2.50-2.55 (br.m, 1H), 3.52-3.57 (br.m, 2H), 4.16 (q, J=7.2Hz, 2H ) ppm.
References
[1] Patent: US2009/69419, 2009, A1. Location in patent: Page/Page column 43-44
Ethyl 3-hydroxy-2,2-diMethylpropanoate Preparation Products And Raw materials
Raw materials
Preparation Products
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