5,6,7,8-Tetrahydronaphthalene-1-carboxylic Acid - CAS 4242-18-6
Catalog: |
BB025132 |
Product Name: |
5,6,7,8-Tetrahydronaphthalene-1-carboxylic Acid |
CAS: |
4242-18-6 |
Synonyms: |
5,6,7,8-Tetrahydro-1-naphthalenecarboxylic Acid; 5,6,7,8-Tetrahydro-1-naphthoic Acid; 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic Acid; 5,6,7,8-Tetrahydro-1-naphthoic Acid; 5,6,7,8-Tetrahydronaphthalen-1-carboxylic Acid; NSC 44874 |
IUPAC Name: | 5,6,7,8-tetrahydronaphthalene-1-carboxylic acid |
Description: | (3S)-N-[[(1S)-1,2,3,4-Tetrahydro-1-naphthalenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine is an intermediate of Palonosetron. Palonosetron (INN, trade name Aloxi) is a 5-HT3 antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | C1CCC2=C(C1)C=CC=C2C(=O)O |
InChI: | InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H,12,13) |
InChI Key: | GCFQXKYHWFWGSB-UHFFFAOYSA-N |
Boiling Point: | 336.8±31.0°C (Predicted) |
Melting Point: | 150.0-154.0°C |
Purity: | ≥95% |
Density: | 1.184±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | White Solid |
Storage: | Store at 2-8°C |
LogP: | 2.26360 |
Publication Number | Title | Priority Date |
CN-113248407-A | Multifunctional aromatic amine compound and preparation method and application thereof | 20210520 |
CN-112341396-A | Novel monoacylglycerol esterase inhibitor and preparation method and application thereof | 20201104 |
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CN-113493456-A | Preparation and application of tetrahydro carboline-tetrahydroisoquinoline compound containing middle ring | 20200403 |
WO-2021083182-A1 | Uricosuric agent, synthetic method therefor, and pharmaceutical application thereof | 20191028 |
PMID | Publication Date | Title | Journal |
21578930 | 20091128 | 5,6,7,8-Tetra-hydro-naphthalene-1-carboxylic acid | Acta crystallographica. Section E, Structure reports online |
14750740 | 20040115 | Combined application of stable carbon isotope analysis and specific metabolites determination for assessing in situ degradation of aromatic hydrocarbons in a tar oil-contaminated aquifer | Environmental science & technology |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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