α-Methyl-2-naphthalenemethanol - CAS 7228-47-9
Catalog: |
BB034590 |
Product Name: |
α-Methyl-2-naphthalenemethanol |
CAS: |
7228-47-9 |
Synonyms: |
1-(2-Naphthyl)ethanol; 1-(naphthalen-2-yl)ethanol; 1-(naphthalen-2-yl)ethan-1-ol |
IUPAC Name: | 1-naphthalen-2-ylethanol |
Description: | α-Methyl-2-naphthalenemethanol is an impurity of Cinacalcet, a pharmaceutical drug employed for treating hyperparathyroidism among individuals afflicted by chronic renal disorders and parathyroid carcinoma. |
Molecular Weight: | 172.22 |
Molecular Formula: | C12H12O |
Canonical SMILES: | CC(C1=CC2=CC=CC=C2C=C1)O |
InChI: | InChI=1S/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3 |
InChI Key: | AXRKCRWZRKETCK-UHFFFAOYSA-N |
Boiling Point: | 180-184 °C (15 mmHg) |
Melting Point: | 66-68 °C |
Purity: | 97.0 % (HPLC) |
Density: | 1.119 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00004111 |
LogP: | 2.37460 |
Publication Number | Title | Priority Date |
CN-113354556-A | C3Chiral ligand H3L with symmetry amide bond, preparation method and application | 20210705 |
CN-111621031-A | Preparation method and application of mimic enzyme MOF-based chiral separation material | 20200628 |
CN-111378147-A | Novel chiral MOF material and preparation method and application thereof | 20200203 |
CN-111378147-B | Chiral MOF material and preparation method and application thereof | 20200203 |
CN-110724032-A | Method for preparing alcohol compound by hydrogenation reduction of ketone and aldehyde | 20191106 |
PMID | Publication Date | Title | Journal |
21931904 | 20111028 | The role of weak hydrogen bonds in chiral recognition | Physical chemistry chemical physics : PCCP |
21754549 | 20110501 | Triethyl-ammonium (S)-(-)-O-[1-(2-naphth-yl)eth-yl] (4-meth-oxy-phen-yl)dithio-phospho-nate | Acta crystallographica. Section E, Structure reports online |
16482344 | 20060227 | Chiral recognition between lactic acid derivatives and an aromatic alcohol in a supersonic expansion: electronic and vibrational spectroscopy | Physical chemistry chemical physics : PCCP |
15200178 | 20040401 | Chemoenzymatic synthesis of optically active, biodegradable polymers based on phenyl- and naphthyl-ethanols esterified with divinyladipate | Biotechnology letters |
12123382 | 20020725 | Resolution of 1-(2-naphthyl)ethanol by a combination of an enzyme-catalyzed kinetic resolution with a fluorous triphasic separative reaction | Organic letters |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.088815002 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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