trans-1,2-Cyclohexanedicarboxylic acid
Synonym(s):trans-Cyclohexane-1,2-dicarboxylic acid;trans-Hexahydrophthalic acid;trans-Cyclohexane-1,2-dicarboxylic acid;trans-Hexahydrophthalic acid
- CAS NO.:2305-32-0
- Empirical Formula: C8H12O4
- Molecular Weight: 172.18
- MDL number: MFCD00001464
- EINECS: 218-975-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-05-29 17:03:55
What is trans-1,2-Cyclohexanedicarboxylic acid?
Chemical properties
white crystalline powder
The Uses of trans-1,2-Cyclohexanedicarboxylic acid
trans-1,2-cyclohexanedicarboxylic acid be used as organic intermediates.
The Uses of trans-1,2-Cyclohexanedicarboxylic acid
trans-1,2-Cyclohexanedicarboxylic Acid is used as a reagent in the synthesis of enantiopure (α-cyanoalkyl)(tetrahydropyrido[4,3-b]indolecarbonyl)cyclohexanecarboxamides and its analogs as selective cathepsin K inhibitors for the treatment of osteoarthritis. Also used as a reagent in the synthesis of novel cyclopentanedicarboxamide sodium channel blockers as a potential treatment for chronic pain.
Purification Methods
It is purified by recrystallisation from EtOH or H2O. It is formed by hydrolyzing the anhydride with water. The dimethyl ester has m 95-96o (from *C6H6/pet ether). [Abell J Org Chem 22 769 1957, Smith & Byrne J Am Chem Soc 72 4406 1950, Linstead et al. J Am Chem Soc 64 2093 1942, Beilstein 9 III 3812, 9 IV 2801.] The 1R,2R-(-)-trans-cyclohexane-1,2-acid [46022-05-3] has m 171-182o and [ ] D -20o (c 1, Me2CO). cis-Cyclohexane-1,2-dicarboxylic anhydride (cis-hexahydrophthalic anhydride) [85-42-7, 13149-00-3] M 154.2, m 32-34o, b 158o/17mm. It has been obtained by heating the trans-acid or anhydride at 200o. Crystallise it from *C6H6/Et2O or distil it. [Kohler & Jansen J Am Chem Soc 60 2145 1938, Abell J Org Chem 22 769 1957, Beilstein 17 II 452, 17 III/IV 5931.]
Properties of trans-1,2-Cyclohexanedicarboxylic acid
Melting point: | 228-230 °C (lit.) |
Boiling point: | 262.49°C (rough estimate) |
Density | 1.2104 (rough estimate) |
refractive index | 1.4450 (estimate) |
storage temp. | Store below +30°C. |
solubility | Acetone (Slightly), DMSO (Slightly) |
form | Solid |
pka | pK1:4.18;pK2: 5.93 (20°C) |
color | White |
Water Solubility | 2g/L(20 ºC) |
BRN | 3200609 |
CAS DataBase Reference | 2305-32-0(CAS DataBase Reference) |
NIST Chemistry Reference | 1,2-Cyclohexanedicarboxylic acid, trans-(2305-32-0) |
EPA Substance Registry System | 1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel- (2305-32-0) |
Safety information for trans-1,2-Cyclohexanedicarboxylic 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for trans-1,2-Cyclohexanedicarboxylic acid
InChIKey | QSAWQNUELGIYBC-WDSKDSINSA-N |
New Products
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