5-Methoxy-1-tetralone - CAS 33892-75-0
Catalog: |
BB021884 |
Product Name: |
5-Methoxy-1-tetralone |
CAS: |
33892-75-0 |
Synonyms: |
5-methoxy-3,4-dihydro-2H-naphthalen-1-one |
IUPAC Name: | 5-methoxy-3,4-dihydro-2H-naphthalen-1-one |
Description: | 5-Methoxy-1-tetralone (CAS# 33892-75-0) is a useful research chemical. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | COC1=CC=CC2=C1CCCC2=O |
InChI: | InChI=1S/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3 |
InChI Key: | BRCPWISABURVIH-UHFFFAOYSA-N |
Boiling Point: | 160-162 °C (7 mmHg) |
Melting Point: | 87-91 °C |
Purity: | 95 % |
Density: | 160 g/cm3 |
Appearance: | Plates |
MDL: | MFCD00001692 |
LogP: | 2.21420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111638292-A | High performance liquid phase resolution method of rotigotine key intermediate | 20200715 |
CN-113121626-A | Macrolide compound, synthesis method, pharmaceutical composition and application thereof | 20200110 |
WO-2021017795-A1 | α,β-UNSATURATED KETONE DERIVATIVE, PREPARATION METHOD AND USE AS MEDICINE | 20190726 |
WO-2021003295-A1 | Modulators of hsd17b13 and methods of use thereof | 20190702 |
WO-2020212543-A1 | Compounds for optically active devices | 20190418 |
PMID | Publication Date | Title | Journal |
17407302 | 20070426 | Formal synthesis of (+/-)-platensimycin | Organic letters |
16835097 | 20060520 | Alternative procedure for the synthesis of Mansonone F and Biflorin precursor | Natural product research |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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