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2H-Naphtho[2,3-b]pyran-5,10-dione,2,2-dimethyl-

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Name

2H-Naphtho[2,3-b]pyran-5,10-dione,2,2-dimethyl-

EINECS N/A
CAS No. 15297-92-4 Density 1.28 g/cm3
PSA 43.37000 LogP 2.68470
Solubility N/A Melting Point 156 °C
Formula C15H12O3 Boiling Point 395.2 °C at 760 mmHg
Molecular Weight 240.258 Flash Point 177 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 15297-92-4 (xyloidone) Hazard Symbols N/A
Synonyms

Dehydro-a-lapachol;Dehydro-a-lapachone;Dehydro-a-lapacone;Dehydrolapachone;NSC106453;NSC 629748;Xiloidone;Xyloidone;a-Lapachone, dehydro-;

Article Data 29

2H-Naphtho[2,3-b]pyran-5,10-dione,2,2-dimethyl- Specification

The CAS register number of 2H-Naphtho[2,3-b]pyran-5,10-dione,2,2-dimethyl- is 15297-92-4. It also can be called as Dehydrolapachone and the IUPAC name about this chemical is 2,2-dimethylbenzo[g]chromene-5,10-dione. The molecular formula about this chemical is C15H12O3 and the molecular weight is 240.25848.

Physical properties about 2H-Naphtho[2,3-b]pyran-5,10-dione,2,2-dimethyl- are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 3.14; (3)ACD/LogD (pH 7.4): 3.14; (4)ACD/BCF (pH 5.5): 142.8; (5)ACD/BCF (pH 7.4): 142.8; (6)ACD/KOC (pH 5.5): 1213.3; (7)ACD/KOC (pH 7.4): 1213.3; (8)#H bond acceptors: 3; (9)Polar Surface Area: 43.37 Å2; (10)Index of Refraction: 1.62; (11)Molar Refractivity: 65.67 cm3; (12)Molar Volume: 186.8 cm3; (13)Polarizability: 26.03x10-24cm3; (14)Surface Tension: 50.5 dyne/cm; (15)Density: 1.28 g/cm3; (16)Flash Point: 177 °C; (17)Enthalpy of Vaporization: 64.53 kJ/mol; (18)Boiling Point: 395.2 °C at 760 mmHg; (19)Vapour Pressure: 1.87E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-hydroxy-[1,4]naphthoquinone and 3-methyl-but-2-enal. This reaction will need solvent of benzene. The reaction time is 4 hours and it needs heating. The yield is about 35%.

2H-Naphtho[2,3-b]pyran-5,10-dione,2,2-dimethyl- can be prepared by 2-hydroxy-[1,4]naphthoquinone and 3-methyl-but-2-enal.

Uses of 2H-Naphtho[2,3-b]pyran-5,10-dione,2,2-dimethyl-: it can be used to produce 2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione. This reaction will need reagent of H2 and solvent of tetrahydrofuran. This reaction needs catalytic agent of 10percent Pd/C. The reaction time is 4 hours and reaction pressure is 2844.3. The yield is about 97%.

2H-Naphtho[2,3-b]pyran-5,10-dione,2,2-dimethyl- can be used to produce 2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C=1\C=C/C(OC=1C(=O)c3c2cccc3)(C)C
(2)InChI: InChI=1/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3
(3)InChIKey: OWFHAMHRUCUSRM-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3
(5)Std. InChIKey: OWFHAMHRUCUSRM-UHFFFAOYSA-N

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