8-(tert-Butoxy)-8-oxooctanoic acid
Uses- Product Name
- 8-(tert-Butoxy)-8-oxooctanoic acid
- CAS No.
- 234081-94-8
- Chemical Name
- 8-(tert-Butoxy)-8-oxooctanoic acid
- Synonyms
- 8-(tert-Butoxy)-8-oxooctanoic acid;Octanedioic acid 1-tert-butyl ester;Octanedioic acid mono-tert-butyl ester;Octanedioic acid, 1-(1,1-dimethylethyl) ester;8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid
- CBNumber
- CB63161773
- Molecular Formula
- C12H22O4
- Formula Weight
- 230.3
- MOL File
- 234081-94-8.mol
8-(tert-Butoxy)-8-oxooctanoic acid Property
- Boiling point:
- 324.8±25.0 °C(Predicted)
- Density
- 1.024±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 4.76±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C12H22O4/c1-12(2,3)16-11(15)9-7-5-4-6-8-10(13)14/h4-9H2,1-3H3,(H,13,14)
- InChIKey
- BONUHUQZCZQQEN-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)CCCCCCC(O)=O
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
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.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
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
- 5682CZ
- Product name
- 8-(Tert-Butoxy)-8-oxooctanoicacid
- Packaging
- 1g
- Price
- $212
- Updated
- 2021/12/16
- Product number
- 179870
- Product name
- 8-(tert-Butoxy)-8-oxooctanoic acid
- Purity
- 95%
- Packaging
- 1g
- Price
- $1073
- Updated
- 2021/12/16
- Product number
- 5682CZ
- Product name
- 8-(Tert-Butoxy)-8-oxooctanoicacid
- Packaging
- 10g
- Price
- $1207
- Updated
- 2021/12/16
- Product number
- 179870
- Product name
- 8-(tert-Butoxy)-8-oxooctanoic acid
- Purity
- 95%
- Packaging
- 5g
- Price
- $1898
- Updated
- 2021/12/16
- Product number
- 098597
- Product name
- 8-(tert-Butoxy)-8-oxooctanoicacid
- Packaging
- 5g
- Price
- $1980
- Updated
- 2021/12/16
8-(tert-Butoxy)-8-oxooctanoic acid Chemical Properties,Usage,Production
Uses
8-(tert-butoxy)-8-oxooctanoic acid can be used as an intermediate in the production of complex organic molecules.
Synthesis
505-48-6
75-65-0
234081-94-8
The general procedure for the synthesis of 8-(tert-butoxy)-8-oxooctanoic acid from octanedioic acid and tert-butanol was as follows: octanedioic acid (1.00 g, 5.75 mmol), 2-methyl-2-propanol (6.9 mL, 71.8 mmol), EDCI (1.1 g, 5.74 mmol) and DMAP (0.7 g, 5.74 mmol) were dissolved in dichloromethane ( 6.8 mL). The reaction mixture was stirred at room temperature for 5 hours. After completion of the reaction, the reaction mixture was diluted with ether (60 mL) and washed sequentially with 0.01 N HCl (50 mL) and water (50 mL). The organic phase was dried with anhydrous magnesium sulfate and subsequently concentrated under reduced pressure to remove the solvent. The crude product was purified by fast column chromatography with the eluent being 1:1 ethyl acetate:petroleum ether to afford 8-(tert-butoxy)-8-oxooctanoic acid (0.41 g, 1.77 mmol, 31% yield) as a colorless oil.1H NMR (400 MHz, DMSO-d6) δ ppm: 11.94 (broad single peak, 1H), 2.18 (double peak, J = 14.6, 7.3 Hz, 4H), 1.54-1.42 (multiple peaks, 4H), 1.40 (single peak, 9H), 1.34-1.20 (multiple peaks, 4H).
References
[1] Patent: WO2017/212329, 2017, A1. Location in patent: Page/Page column 30; 83; 84
[2] Chemistry and Physics of Lipids, 2002, vol. 119, # 1-2, p. 51 - 68
[3] Chemical Communications, 1999, # 9, p. 823 - 824
8-(tert-Butoxy)-8-oxooctanoic acid Preparation Products And Raw materials
Raw materials
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