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[ CAS No. 607-01-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 607-01-2
Chemical Structure| 607-01-2
Structure of 607-01-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 607-01-2 ]

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Product Details of [ 607-01-2 ]

CAS No. :607-01-2 MDL No. :MFCD00015170
Formula : C14H15P Boiling Point : -
Linear Structure Formula :(C6H5)2PCH2CH3 InChI Key :WUOIAOOSKMHJOV-UHFFFAOYSA-N
M.W : 214.24 Pubchem ID :69082
Synonyms :

Calculated chemistry of [ 607-01-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.14
Num. rotatable bonds : 3
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 69.74
TPSA : 13.59 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.98
Log Po/w (XLOGP3) : 3.42
Log Po/w (WLOGP) : 3.14
Log Po/w (MLOGP) : 4.41
Log Po/w (SILICOS-IT) : 4.74
Consensus Log Po/w : 3.74

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.72
Solubility : 0.0411 mg/ml ; 0.000192 mol/l
Class : Soluble
Log S (Ali) : -3.39
Solubility : 0.0882 mg/ml ; 0.000412 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.82
Solubility : 0.000322 mg/ml ; 0.0000015 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.16

Safety of [ 607-01-2 ]

Signal Word:Danger Class:9
Precautionary Statements:P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330 UN#:3082
Hazard Statements:H302-H319-H372-H410 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 607-01-2 ]

* 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 [ 607-01-2 ]

[ 607-01-2 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 75-03-6 ]
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  • [ 5271-36-3 ]
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  • [ 684-16-2 ]
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  • [ 17244-59-6 ]
  • 3
  • [ 17985-99-8 ]
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  • [ 620-05-3 ]
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  • [ 74339-30-3 ]
  • 7
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  • 8
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  • [ 138849-71-5 ]
  • 9
  • [ 16714-23-1 ]
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  • [ 115255-81-7 ]
  • 10
  • [ 1733-57-9 ]
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YieldReaction ConditionsOperation in experiment
75%Spectr. With chloro-trimethyl-silane; magnesium; at 20℃; for 2h; General procedure: To a mixture of Mg powder (8 mmol, 4 mol equiv), Me3SiCl (6 mmol, 3 mol equiv), and DMI (8 mL) was added 2a (2 mmol), and the whole mixture was stirred for 2 h at room temperature. To the reaction mixture was added satd aq (NH4)2CO3, and the mixture was extracted with Et2O (10 mL 3). The combined organic layers were washed with satd aq NaCl, dried over Na2SO4, and concentrated under reduced pressure. The resultant was analyzed by 31P NMR to find that 1a and 2a were obtained in 97:3 ratio. The desired 1a was obtained in 96% yield after purification by silica gel column chromatography (hexane/AcOEt = 5:1) (Table 1, entry 1).
95%Chromat. With [AlH3(triethylamine)]; In hexane; at 20℃; for 0.166667h;Inert atmosphere; Schlenk technique; General procedure: Triphenylphosphine oxide or sulfide (1 mmol), dry hexane (1 mL), and Ic (1 mmol) were added to a Schlenk tube under the atmosphere of nitrogen. The reaction was carried out at room temperature for 10 min and monitored by TLC. Upon completion of the process the reaction mixture was filtered by silica gel and washed several times with ethyl acetate. Ethyl acetate was evaporated and the residue purified by flash chromatography on silica gel with pure cyclohexane toafford the desired phosphine. The yield was determined by GC without additional purification.
  • 11
  • [ 310-40-7 ]
  • [ 4346-39-8 ]
  • [ 607-01-2 ]
  • (4-Diphenylphosphanyl-phenyl)-phosphonic acid monoethyl ester [ No CAS ]
  • 12
  • [ 607-01-2 ]
  • C14H15IP(1+)*I3(1-) [ No CAS ]
  • 13
  • [ 26386-88-9 ]
  • [ 607-01-2 ]
  • [ 334932-58-0 ]
  • 14
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  • [ 1516-56-9 ]
  • [ 127802-82-8 ]
  • 15
  • [ 607-01-2 ]
  • ethyldiphenylphosphine-dithiomonometaphosphoryl chloride [ No CAS ]
  • 16
  • [ 18475-84-8 ]
  • [ 607-01-2 ]
  • [ 51684-12-9 ]
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Technical Information

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