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About This Item
Linear Formula:
CH3CH2OCO(CH2)4CH(Cl)(CH2)2Cl
CAS Number:
Molecular Weight:
241.15
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
Assay
95%
refractive index
n20/D 1.462 (lit.)
density
1.107 g/mL at 25 °C (lit.)
SMILES string
CCOC(=O)CCCCC(Cl)CCCl
InChI
1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3
InChI key
RFYDWSNYTVVKBR-UHFFFAOYSA-N
Application
Ethyl 6,8-dichlorooctanoate may be used as a starting material in the synthesis of 6-selenolipoic acid and α-lipoic acid derivatives, which show potent anticancer activity.
It may also be used as a starting material to synthesize:
It may also be used as a starting material to synthesize:
- 6,8-Dibenzylmercaptooctanoic acid, an intermediate for the preparation of DL-α-lipoic acid.
- Ethyl 5,7-dichloroheptanoate, an intermediate for the preparation of DL-1,2-dithiolane-3-butyric acid.
- 7-Bromo-1,3-dichloroheptane, an intermediate for the preparation of DL-12-dithiolane-3-butanesulfonamide.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 2 - Skin Sens. 1
Storage Class Code
10 - Combustible liquids
WGK
WGK 2
Flash Point(F)
230.0 °F - closed cup
Flash Point(C)
110 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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Synthesis of some monoselenolipoic acid derivatives and their biological evaluation as anticancer agents.
Xu F, et al.
J. Chem. Res. (M), 37(5), 311-314 (2013)
Syntheses of DL-a-lipoic acid.
Reed LJ and Niu CI.
Journal of the American Chemical Society, 77(2), 416-419 (1955)
Synthesis of DL-1, 2-Dithiolane-3-caproic Acid and DL-1, 2-Dithiolane-3-butyric Acid, Homologs of a-Lipoic Acid.
Thomas RC and Reed LJ.
Journal of the American Chemical Society, 78(23), 6151-6153 (1956)
Synthesis of DL-1, 2-Dithiolane-3-butanesulfonamide, an Analog of a-Lipoic Acid.
Thomas RC and Reed LJ.
Journal of the American Chemical Society, 78(23), 6150-6151 (1956)
Shi-Jie Zhang et al.
Bioorganic & medicinal chemistry letters, 20(10), 3078-3083 (2010-04-21)
alpha-Lipoic acid derivatives were synthesized and evaluated for their in vitro anticancer activities against NCI-460, HO-8910, KB, BEL-7402, and PC-3 cell lines. The results, for most compounds exhibited dose-dependent inhibitory property and several compounds had good inhibitions at the dose
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