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[ CAS No. 28315-93-7 ] {[proInfo.proName]}

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Chemical Structure| 28315-93-7
Chemical Structure| 28315-93-7
Structure of 28315-93-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 28315-93-7 ]

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Product Details of [ 28315-93-7 ]

CAS No. :28315-93-7 MDL No. :MFCD00001693
Formula : C10H10O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :YPPZCRZRQHFRBH-UHFFFAOYSA-N
M.W : 162.19 Pubchem ID :119921
Synonyms :
Chemical Name :5-Hydroxy-3,4-dihydronaphthalen-1(2H)-one

Calculated chemistry of [ 28315-93-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 46.32
TPSA : 37.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.53
Log Po/w (XLOGP3) : 2.14
Log Po/w (WLOGP) : 1.91
Log Po/w (MLOGP) : 1.35
Log Po/w (SILICOS-IT) : 2.52
Consensus Log Po/w : 1.89

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.56
Solubility : 0.443 mg/ml ; 0.00273 mol/l
Class : Soluble
Log S (Ali) : -2.56
Solubility : 0.452 mg/ml ; 0.00278 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.81
Solubility : 0.252 mg/ml ; 0.00155 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.7

Safety of [ 28315-93-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 28315-93-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 28315-93-7 ]

[ 28315-93-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 5417-17-4 ]
  • [ 28315-93-7 ]
  • C19H17ClO4 [ No CAS ]
  • 2
  • [ 28315-93-7 ]
  • [ 7149-75-9 ]
  • 5-(4-chloro-3-methylphenylamino)-5,6,7,8-tetrahydronaphthalen-1-ol [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.1 g With nido-decaborane; In methanol; at 20℃; for 8h; Step 1 (0424) To a mixture of 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one (693 mg), <strong>[7149-75-9]4-chloro-3-methylphenylamine</strong> (550 mg) and methanol (20 mL) was added decaborane (236 mg), and the mixture was stirred at room temperature for 8 hours. After the mixture was diluted with ethyl acetate, to the resulting mixture was added aminopropyl silica gel powder (5 g). The resulting mixture was filtered and the filtrate was concentrated under reduced pressure to give 5-(4-chloro-3-methylphenylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (1.1 g).
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Technical Information

? Acidity of Phenols ? Acyl Group Substitution ? Arndt-Eistert Homologation ? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Catalytic Hydrogenation ? Chan-Lam Coupling Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Electrophilic Substitution of the Phenol Aromatic Ring ? Etherification Reaction of Phenolic Hydroxyl Group ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? Grignard Reaction ? Halogenation of Phenols ? Henry Nitroaldol Reaction ? Horner-Wadsworth-Emmons Reaction ? Hunsdiecker-Borodin Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Oxidation of Phenols ? Passerini Reaction ? Paternò-Büchi Reaction ? Pechmann Coumarin Synthesis ? Petasis Reaction ? Peterson Olefination ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Preparation of Carboxylic Acids ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Carboxylic Acids ? Reformatsky Reaction ? Reimer-Tiemann Reaction ? Robinson Annulation ? Rosenmund Reduction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Stobbe Condensation ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
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