[ CAS No. 6372-42-5 ] {[proInfo.proName]}

Name: 6372-42-5|Cyclohexyldiphenylphosphine|98%
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SKU: A163530
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2D 3D

Structure of 6372-42-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 6372-42-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 6372-42-5 ]

SDS Specification

Alternatived Products of [ 6372-42-5 ]

Product Details of [ 6372-42-5 ]

CAS No. :	6372-42-5	MDL No. :	MFCD00046360
Formula :	C₁₈H₂₁P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZXKWUYWWVSKKQZ-UHFFFAOYSA-N
M.W :	268.33	Pubchem ID :	80756
Synonyms :

Calculated chemistry of [ 6372-42-5 ]

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.33
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	86.86
TPSA :	13.59 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.49 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.51
Log Po/w (XLOGP3) :	4.86
Log Po/w (WLOGP) :	4.45
Log Po/w (MLOGP) :	5.01
Log Po/w (SILICOS-IT) :	5.6
Consensus Log Po/w :	4.68

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.83
Solubility :	0.00393 mg/ml ; 0.0000146 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.88
Solubility :	0.00354 mg/ml ; 0.0000132 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.46
Solubility :	0.0000926 mg/ml ; 0.000000345 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.55

Safety of [ 6372-42-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 6372-42-5 ]

* 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 [ 6372-42-5 ]

[ 6372-42-5 ] Synthesis Path-Downstream 1~88

1
[ 74-83-9 ]
[ 6372-42-5 ]
Diphenyl-cyclohexyl-methyl-phosphonium [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung. Teil B. Anorganische Chemie, organische Chemie, Biochemie, Biophysik, Biologie,1971,vol. 26b,p. 184 - 190

2
[ 74-96-4 ]
[ 6372-42-5 ]
Ethyl-diphenyl-cyclohexyl-phosphonium [ No CAS ]

Reference： [1]Zeitschrift fur Naturforschung. Teil B. Anorganische Chemie, organische Chemie, Biochemie, Biophysik, Biologie,1971,vol. 26b,p. 184 - 190

3
[ 6372-42-5 ]
[ 63699-00-3 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 2382 - 2385

4
[ 6372-42-5 ]
[ 13689-20-8 ]

Yield	Reaction Conditions	Operation in experiment
99%	With water; Selectfluor; In acetonitrile; at 20℃; for 0.166667h;	General procedure: To a solution of 1 (0.2 mmol) in 2 mL of CH3CN/H2O(v/v = 100/1) was added Selectfluor (71 mg, 0.2 mmol). The mixture was stirred at room temperature for 5-60minutes. After removal of the solvent, the residue was then purified by flash column chromatography on silica gel with petroleum ether/ethyl acetate to give the desired product 2.
99%	With 4-phenylthioxanthone; In methanol; at 20℃; under 760.051 Torr; for 1.33333h;Irradiation;	General procedure: 1a (70.5 mg, 0.20 mmol), 4-phenylthioxanthone (3 mg, 0.01 mmol), CH3OH (30 mL) were added to a pyrex reaction flash which was equipped with a magnetic stirrer. The mixture was irradiated by a 23 W household lamp at rt under air atmosphere. The photoreaction was completed after 40 minutes as monitored by TLC (eluent: petroleum ether). The solvent was removed and the residue was purified by flash column chromatography on silica gel (eluent: petroleum ether/ethyl acetate = 10/1?EA) to afford 2a as a solid (74 mg, 100%); 1H NMR (400 MHz, CDCl3) delta 7.56 (dd, J = 11.6, 8.8 Hz, 6 H), 6.95 (dd, J = 8.8, 2.0 Hz, 6 H), 3.83 (s, 9 H).

Reference： [1]Tetrahedron Letters,2016,vol. 57,p. 3379 - 3381
[2]Tetrahedron Letters,2018,vol. 59,p. 3880 - 3883
[3]Journal of Physical Organic Chemistry,1993,vol. 6,p. 421 - 426
[4]Angewandte Chemie - International Edition,2007,vol. 46,p. 6533 - 6536
[5]Journal of Organic Chemistry,2013,vol. 78,p. 8098 - 8104
[6]Chemistry - A European Journal,2014,vol. 20,p. 12421 - 12425
[7]Organic Letters,2017,vol. 19,p. 5434 - 5437
[8]Dalton Transactions,2018,vol. 47,p. 13072 - 13080

5
[ 108-85-0 ]
[ 1079-66-9 ]
[ 6372-42-5 ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 4240 - 4241
[2]Organometallics,2012,vol. 31,p. 7324 - 7327

6
[ 131379-54-9 ]
[ 1079-66-9 ]
[ 6372-42-5 ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 4240 - 4241

7
[ 6372-42-5 ]
[ 6591-42-0 ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 4240 - 4241

8
C₁₈H₂₁P*H⁽¹⁺⁾*BF₄^(1-) [ No CAS ]
[ 672-66-2 ]
C₈H₁₁P*H⁽¹⁺⁾*BF₄^(1-) [ No CAS ]
[ 6372-42-5 ]