1,4-Cubanedicarboxylic acid
- CAS No.
- 32846-66-5
- Chemical Name:
- 1,4-Cubanedicarboxylic acid
- Synonyms
- Cubane-1,4-dicarboxylic acid;DK7338;1,4-Dicarboxycubane;cubane-1,4-dicarboxylicaci;1,4-Cubanedicarboxylic acid;cubane-1,8-dicarboxylic acid;1,4-Cubanedicarboxylic acid >=97%;(1r,2R,3r,8S)-cubane-1,4-dicarboxylic acid;(1S,2R,3R,8S)-Cubane-1,4-dicarboxylic acid;Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid
- CBNumber:
- CB1664496
- Molecular Formula:
- C10H8O4
- Molecular Weight:
- 192.17
- MDL Number:
- MFCD08458496
- MOL File:
- 32846-66-5.mol
- MSDS File:
- SDS
| Melting point | 224°C |
|---|---|
| Boiling point | 457.4±45.0 °C(Predicted) |
| Density | 2.401±0.06 g/cm3(Predicted) |
| Flash point | 244.6℃ |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder |
| pka | 3.97±0.40(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14) |
| InChIKey | JFKXMJUMOJJTCQ-AWFRWABZSA-N |
| SMILES | C12(C(O)=O)C3C4C5(C(O)=O)C3C1C5C42 |
| CAS DataBase Reference | 32846-66-5 |
| UNSPSC Code | 12352106 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
|---|---|
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P301+P330+P331+P310 |
| Hazard Codes | T |
| Risk Statements | 25 |
| Safety Statements | 45 |
| RIDADR | UN 2810 6.1 / PGIII |
| WGK Germany | WGK 3 |
| HS Code | 29172090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |
1,4-Cubanedicarboxylic acid price More Price(32)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 901000 | 1,4-Cubanedicarboxylic acid ≥97% | 32846-66-5 | 1g | $684 | 2026-04-30 | Buy |
| Biosynth | HBA84666 | 1,4-Cubanedicarboxylic acid | 32846-66-5 | 5g | $2271.5 | 2026-06-04 | Buy |
| Biosynth | HBA84666 | 1,4-Cubanedicarboxylic acid | 32846-66-5 | 10g | $3245 | 2026-06-04 | Buy |
| Biosynth | HBA84666 | 1,4-Cubanedicarboxylic acid | 32846-66-5 | 25g | $5192 | 2026-06-04 | Buy |
| Apolloscientific | OR312533 | (1S,2R,3R,8S)-Cubane-1,4-dicarboxylic acid 97% | 32846-66-5 | 100mg | $111 | 2026-06-04 | Buy |
1,4-Cubanedicarboxylic acid Chemical Properties, Uses, Production
Uses
1,4-Cubanedicarboxylic acid can undergo esterification with alkylsulfuric acids. The acid and its ester derivatives are also capable of undergoing fluorination with elemental fluorine. This product was previously listed as BML00135.
Synthesis
29412-62-2
32846-66-5
The general procedure for the synthesis of 1,4-cubanedicarboxylic acid from dimethyl cubane-1,4-dicarboxylate was as follows: a methanolic solution of 2.5 M NaOH (7.60 mL, 19.1 mmol, 1.05 eq.) was added slowly and dropwise to a tetrahydrofuran (THF,) solution of dimethyl cubane-1,4-dicarboxylate (4.00 g, 18.2 mmol) at room temperature. 125 mL) solution. The reaction mixture was stirred at room temperature for 14 hours. After completion of the reaction, the solvent was removed by evaporation under vacuum without heat. The residue was diluted with deionized water (45 mL) and extracted with chloroform (3 x 15 mL). The aqueous phase was acidified with 32% aqueous hydrochloric acid to pH 3. The acidified aqueous phase was re-extracted with chloroform (1 × 60 mL, 2 × 35 mL). All organic phases were combined and dried with anhydrous magnesium sulfate (MgSO4). The dried organic phase was evaporated from the solvent under reduced pressure to give 1,4-cubanedicarboxylic acid (3.46 g, 92% yield) as a colorless crystalline solid. The melting point of the product was determined to be 183-184.5 °C (literature value: 182-183 °C).1H NMR (200.1 MHz, CDCl3) data were as follows: δ 4.30-4.24 (6H, m, CH), 3.72 (3H, s, CH3), which is in agreement with the spectral data reported in the literature.
References
[1] Synthesis, 1995, # 5, p. 501 - 502
[2] Thermochimica Acta, 2010, vol. 499, # 1-2, p. 15 - 20
[3] Journal of Organic Chemistry, 1989, vol. 54, # 24, p. 5783 - 5788
[4] Organic Letters, 2014, vol. 16, # 16, p. 4094 - 4097
[5] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 12, p. 4059 - 4063
1,4-Cubanedicarboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
1,4-Cubanedicarboxylic acid Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Dream Chemical (Tianjin) Co., Ltd | 13116033143 17602663561 | public@dreamchem.cn | China | 960 | 58 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shanghai Sunway Pharmaceutical Technology Co., Ltd | 13761987713 | hxzheng@sunwaypharm.cn | China | 8663 | 57 |
| Aemon Chemical | 0086-755-86198205 | acinfo@aemonchem.com | China | 1928 | 57 |
| Nanjing Norris-Pharm Technology Co., Ltd | 13901585132 | sales@norris-pharm.com | China | 8869 | 55 |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| Sense Chemicals (Shanghai) Co., Ltd. | +86 13590492756 | michael.he@sensechemicals.com | China | 426 | 58 |
| Sigma-Aldrich | 021-61415566 800-8193336 | orderCN@merckgroup.com | China | 51389 | 80 |
| Tongling HengYou Biotechnology Co., Ltd. | 021-50426030 13856289449;13124863828 | 2630597085@qq.com | China | 1885 | 55 |
| Jilin Chinese Academy of Sciences - Yanshen Technology Co., Ltd | 0431-80534353 19917294565 | et@chemextension.com | China | 3904 | 55 |
View Latest Price from 1,4-Cubanedicarboxylic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-08-02 | 1,4-CUBANEDICARBOXYLIC ACID
32846-66-5
|
$1.00 | 1KG | 99% | 20T | Shaanxi Dideu Medichem Co. Ltd | |
 |
2020-03-16 | cubane-1,4-dicarboxylic acid
32846-66-5
|
$8.86 | 1KG | 95.0%-99.0% | 1kg-100kg | Career Henan Chemical Co |
-
- 1,4-CUBANEDICARBOXYLIC ACID
32846-66-5
- $1.00
- 99%
- Shaanxi Dideu Medichem Co. Ltd
-
- cubane-1,4-dicarboxylic acid
32846-66-5
- $8.86
- 95.0%-99.0%
- Career Henan Chemical Co
