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[ CAS No. 7560-83-0 ] {[proInfo.proName]}

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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 7560-83-0
Chemical Structure| 7560-83-0
Chemical Structure| 7560-83-0
Structure of 7560-83-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 7560-83-0 ]

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Product Details of [ 7560-83-0 ]

CAS No. :7560-83-0 MDL No. :MFCD00014289
Formula : C13H25N Boiling Point : -
Linear Structure Formula :- InChI Key :GSCCALZHGUWNJW-UHFFFAOYSA-N
M.W : 195.34 Pubchem ID :24210
Synonyms :

Calculated chemistry of [ 7560-83-0 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 63.27
TPSA : 3.24 Ų

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) : -4.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.18
Log Po/w (XLOGP3) : 3.71
Log Po/w (WLOGP) : 3.58
Log Po/w (MLOGP) : 3.29
Log Po/w (SILICOS-IT) : 2.87
Consensus Log Po/w : 3.33

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.26
Solubility : 0.108 mg/ml ; 0.000554 mol/l
Class : Soluble
Log S (Ali) : -3.47
Solubility : 0.0663 mg/ml ; 0.00034 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.48
Solubility : 0.647 mg/ml ; 0.00331 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.55

Safety of [ 7560-83-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 UN#:2735
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 7560-83-0 ]

* 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.

  • Upstream synthesis route of [ 7560-83-0 ]
  • Downstream synthetic route of [ 7560-83-0 ]

[ 7560-83-0 ] Synthesis Path-Upstream   1~17

  • 1
  • [ 88374-60-1 ]
  • [ 7560-83-0 ]
YieldReaction ConditionsOperation in experiment
95% With phenylboronic acid In 1,2-dichloro-ethane at 80℃; for 0.25 h; General procedure: Phenylboronic acid (1.0 equiv. for aliphatic N-oxides and 1.5 equiv. for pyridine N-oxides) and tert-amine N-oxide (1 mmol) was stirred in dichloroethane (2 mL) at appropriate temperature (80 oC and 120 oC respectively) in a pressure tube. The progress of the reaction was monitoredby using TLC. After completion, the reaction mixture was diluted with ethyl acetate and washed with water and NaOH solution (1 normal, 3*5 mL). The organic layer was dried over anhydrous sodium sulfate, evaporated and subjected to the column chromatography to obtain pure products.
Reference: [1] Tetrahedron Letters, 2017, vol. 58, # 10, p. 909 - 913
  • 2
  • [ 50-00-0 ]
  • [ 101-83-7 ]
  • [ 7560-83-0 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994, # 1, p. 1 - 2
[2] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001, vol. 40, # 2, p. 152 - 156
[3] Tetrahedron Letters, 1984, vol. 25, # 24, p. 2535 - 2536
[4] Tetrahedron Letters, 2007, vol. 48, # 43, p. 7680 - 7682
[5] Journal of the American Chemical Society, 1939, vol. 61, p. 93
[6] Bulletin de la Societe Chimique de France, 1950, p. 1048[7] Bulletin de la Societe Chimique de France, 1952, p. 276
[8] Journal fuer Praktische Chemie (Leipzig), 1958, vol. <4>5, p. 224,228
[9] Tetrahedron Letters, 1994, vol. 35, # 15, p. 2401 - 2404
[10] Synthetic Communications, 1995, vol. 25, # 14, p. 2061 - 2069
  • 3
  • [ 67-56-1 ]
  • [ 101-83-7 ]
  • [ 7560-83-0 ]
Reference: [1] European Journal of Inorganic Chemistry, 2004, # 3, p. 524 - 529
[2] RSC Advances, 2015, vol. 5, # 19, p. 14514 - 14521
[3] Organic Letters, 2017, vol. 19, # 21, p. 5790 - 5793
[4] Angewandte Chemie - International Edition, 2018, vol. 57, # 21, p. 6166 - 6170[5] Angew. Chem., 2018, vol. 130, p. 6274 - 6278,5
  • 4
  • [ 124-38-9 ]
  • [ 101-83-7 ]
  • [ 7560-83-0 ]
Reference: [1] Chemical Communications, 2018, vol. 54, # 81, p. 11395 - 11398
  • 5
  • [ 101-83-7 ]
  • [ 74-88-4 ]
  • [ 7560-83-0 ]
Reference: [1] Journal of Organic Chemistry, 2000, vol. 65, # 6, p. 1629 - 1635
[2] Journal of the American Chemical Society, 1968, vol. 90, p. 3502 - 3506
  • 6
  • [ 7209-57-6 ]
  • [ 7560-83-0 ]
Reference: [1] Tetrahedron Letters, 1985, vol. 26, # 50, p. 6197 - 6200
  • 7
  • [ 121-69-7 ]
  • [ 7560-83-0 ]
Reference: [1] Chemische Berichte, 1919, vol. 52, p. 1526
  • 8
  • [ 100-61-8 ]
  • [ 7560-83-0 ]
Reference: [1] Chemische Berichte, 1919, vol. 52, p. 1526
  • 9
  • [ 2739-12-0 ]
  • [ 100-60-7 ]
  • [ 7560-83-0 ]
Reference: [1] Chemische Berichte, 1926, vol. 59, p. 170[2] Journal of the American Chemical Society, 1927, vol. 49, p. 1102
  • 10
  • [ 67-56-1 ]
  • [ 108-91-8 ]
  • [ 98-94-2 ]
  • [ 7560-83-0 ]
  • [ 101-83-7 ]
Reference: [1] Journal of Organometallic Chemistry, 1982, vol. 235, # 1, p. 93 - 96
  • 11
  • [ 75-09-2 ]
  • [ 201230-82-2 ]
  • [ 101-83-7 ]
  • [ 7560-83-0 ]
  • [ 1563-91-3 ]
Reference: [1] Angewandte Chemie, 1989, vol. 101, # 10, p. 1427 - 1430
[2] Angewandte Chemie, 1989, vol. 101, # 10, p. 1427 - 1430
  • 12
  • [ 123-39-7 ]
  • [ 108-94-1 ]
  • [ 100-60-7 ]
  • [ 7560-83-0 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1952, p. 190,195
[2] Bulletin de la Societe Chimique de France, 1950, p. 1048[3] Bulletin de la Societe Chimique de France, 1952, p. 276
  • 13
  • [ 124-38-9 ]
  • [ 101-83-7 ]
  • [ 7560-83-0 ]
  • [ 22699-63-4 ]
Reference: [1] Dalton Transactions, 2015, vol. 44, # 41, p. 18138 - 18144
  • 14
  • [ 101-83-7 ]
  • [ 7560-83-0 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1976, vol. 24, # 2, p. 342 - 349
  • 15
  • [ 2591-86-8 ]
  • [ 4111-55-1 ]
  • [ 74-88-4 ]
  • [ 7560-83-0 ]
Reference: [1] Journal of Organic Chemistry, 2000, vol. 65, # 6, p. 1629 - 1635
  • 16
  • [ 4394-85-8 ]
  • [ 4111-55-1 ]
  • [ 74-88-4 ]
  • [ 7560-83-0 ]
Reference: [1] Journal of Organic Chemistry, 2000, vol. 65, # 6, p. 1629 - 1635
  • 17
  • [ 4111-55-1 ]
  • [ 761-65-9 ]
  • [ 74-88-4 ]
  • [ 7560-83-0 ]
Reference: [1] Journal of Organic Chemistry, 2000, vol. 65, # 6, p. 1629 - 1635
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