(S)-(+)-KETOPINIC ACID
Synonym(s):(1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
- CAS NO.:40724-67-2
- Empirical Formula: C10H14O3
- Molecular Weight: 182.22
- MDL number: MFCD08061242
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-06-08 17:06:36
What is (S)-(+)-KETOPINIC ACID?
The Uses of (S)-(+)-KETOPINIC ACID
7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic Acid is a useful reactant for the preparation of alkenyl nitrile electrophiles for the possible use of covalent protein labeling.
The Uses of (S)-(+)-KETOPINIC ACID
(1S)-(+)-Ketopinic acid may be used to prepare:
- Chiral phosphine-oxazoline ligands, which can used in asymmetric palladium-catalyzed Heck reaction of aryl or alkenyl triflates with cyclic alkenes.
- A chiral imino-phosphine ligand, which can be used in palladium-catalyzed asymmetric Diels–Alder reactions to prepare six-membered carbocycles.
- A chiral iminopyridine ligand, which can be used in copper-catalyzed Henry (nitro aldol) reaction between nitromethane and o-anisol to form the corresponding β-hydroxynitroalkane.
General Description
(1S)-(+)-Ketopinic acid is a chiral ketone.
Properties of (S)-(+)-KETOPINIC ACID
Melting point: | 237-239 °C(lit.) |
Boiling point: | 313.3±25.0 °C(Predicted) |
alpha | 58 º (C=1 IN CHLOROFORM) |
Density | 1.238±0.06 g/cm3(Predicted) |
refractive index | 25.5 ° (C=0.65, MeOH) |
storage temp. | Sealed in dry,Room Temperature |
form | powder to crystal |
pka | 3.67±0.40(Predicted) |
color | White to Almost white |
optical activity | [α]23/D +58°, c = 1 in chloroform |
BRN | 4180005 |
CAS DataBase Reference | 40724-67-2(CAS DataBase Reference) |
Safety information for (S)-(+)-KETOPINIC ACID
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for (S)-(+)-KETOPINIC ACID
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(S)-(+)-KETOPINIC ACID
3-BROMO-7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID
AKOS BBS-00001903
(S)-2-HYDROXYMETHYLCYCLOHEXANONE
(1R)-(-)-Ketopinic acid
Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2-oxo-
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