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[ CAS No. 19415-51-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 19415-51-1
Chemical Structure| 19415-51-1
Structure of 19415-51-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 19415-51-1 ]

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Product Citations

Product Details of [ 19415-51-1 ]

CAS No. :19415-51-1 MDL No. :MFCD00143458
Formula : C8H7FO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :CRLDWFVRQNUUSZ-UHFFFAOYSA-N
M.W : 154.14 Pubchem ID :2734943
Synonyms :

Calculated chemistry of [ 19415-51-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 38.28
TPSA : 26.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.79 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.79
Log Po/w (XLOGP3) : 2.04
Log Po/w (WLOGP) : 2.07
Log Po/w (MLOGP) : 1.55
Log Po/w (SILICOS-IT) : 2.39
Consensus Log Po/w : 1.97

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.35
Solubility : 0.685 mg/ml ; 0.00444 mol/l
Class : Soluble
Log S (Ali) : -2.22
Solubility : 0.928 mg/ml ; 0.00602 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.74
Solubility : 0.282 mg/ml ; 0.00183 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.23

Safety of [ 19415-51-1 ]

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

Application In Synthesis of [ 19415-51-1 ]

* 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 [ 19415-51-1 ]

[ 19415-51-1 ] Synthesis Path-Downstream   1~17

  • 1
  • [ 2591-86-8 ]
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  • [ 19415-51-1 ]
  • 2
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  • 3
  • [ 7677-24-9 ]
  • [ 19415-51-1 ]
  • [ 82128-83-4 ]
YieldReaction ConditionsOperation in experiment
79% zinc diiodide; In dichloromethane; EXAMPLE 13 2-(5-Fluoro-2-methoxyphenyl)-2-trimethylsiloxyethanenitrile By the procedure of Example 1, except that a reaction time of 4 days at room temperature was employed, <strong>[19415-51-1]5-fluoro-2-methoxybenzaldehyde</strong> (9.5 g., 0.062 mole) in 50 ml. of methylene chloride was reacted with trimethylsilylcarbonitrile (7.3 g., 0.074 mole) in the presence of a catalytic amount of zinc iodide to produce 2-(5-fluoro-2-methoxyphenyl)-2-trimethylsiloxyethanenitrile [12.5 g., 79%; oil; m/e 253; ir (CH2 Cl2) 1504, 1200 cm-1 ].
79% With zinc(II) iodide; at 20℃; for 1h; A solution of ZnI2 (1.6 mg, 0.01 mmol), <strong>[19415-51-1]5-fluoro-2-methoxybenzaldehyde</strong> (1.54 g, 9.99 mmol) in trimethylsilanecarbonitrile (1.5 mL, 11.25 mmol) was stirred for 1 h at room temperature. The resulting mixture was concentrated under vacuum. The resulting crude product was purified by silica gel chromatography (eluting with 1:1 ethyl acetate/petroleum ether) to afford 2-(5-fluoro-2-methoxyphenyl)-2-[(trimethylsilyl)oxy]acetonitrile as a white solid (2.0 g, 79%).
  • 4
  • [ 141-82-2 ]
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  • [ 157518-45-1 ]
  • 5
  • [ 19415-51-1 ]
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  • 6
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  • 7
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  • 8
  • [ 19415-51-1 ]
  • [ 126209-85-6 ]
  • 9
  • [ 19415-51-1 ]
  • protonated 5-fluoro-2-methoxybenzaldehyde [ No CAS ]
  • 12
  • [ 459-60-9 ]
  • [ 68-12-2 ]
  • [ 19415-51-1 ]
  • [ 105728-90-3 ]
  • 13
  • [ 19415-51-1 ]
  • cis-(+/-)-2-phenylpiperidin-3-ylamine [ No CAS ]
  • (5-Fluoro-2-methoxy-benzyl)-((2R,3R)-2-phenyl-piperidin-3-yl)-amine [ No CAS ]
  • 14
  • [ 179556-97-9 ]
  • [ 19415-51-1 ]
  • 4-[(5-fluoro-2-methoxy-benzyl)-isobutyl-amino]-piperidine-1-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]
  • 15
  • [ 19415-51-1 ]
  • [ 4440-01-1 ]
  • 1-(5-fluoro-2-methoxy-phenyl)-3-phenyl-prop-2-yn-1-ol [ No CAS ]
  • 16
  • [ 858279-61-5 ]
  • [ 19415-51-1 ]
  • <i>N</i>'-(7-chloro-quinolin-4-yl)-<i>N</i>-(5-fluoro-2-methoxy-benzyl)-<i>N</i>-propyl-propane-1,3-diamine [ No CAS ]
  • 17
  • [ 908243-22-1 ]
  • [ 19415-51-1 ]
  • <i>N</i>'-(7-chloro-quinolin-4-yl)-<i>N</i>-(5-fluoro-2-methoxy-benzyl)-<i>N</i>-propyl-butane-1,4-diamine [ No CAS ]
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Technical Information

? Acidity of Phenols ? Alkyl Halide Occurrence ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Chan-Lam Coupling Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs 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 ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Julia-Kocienski Olefination ? Knoevenagel Condensation ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mukaiyama Aldol Reaction ? Nomenclature of Ethers ? Nozaki-Hiyama-Kishi Reaction ? Oxidation of Phenols ? Passerini Reaction ? Paternò-Büchi Reaction ? Pechmann Coumarin Synthesis ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Preparation of Ethers ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Ethers ? Reformatsky Reaction ? Reimer-Tiemann Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Stetter Reaction ? Stobbe Condensation ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
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