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[ CAS No. 108-75-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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+
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3d Animation Molecule Structure of 108-75-8
Chemical Structure| 108-75-8
Chemical Structure| 108-75-8
Structure of 108-75-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 108-75-8 ]

CAS No. :108-75-8 MDL No. :MFCD00006338
Formula : C8H11N Boiling Point : -
Linear Structure Formula :- InChI Key :BWZVCCNYKMEVEX-UHFFFAOYSA-N
M.W : 121.18 Pubchem ID :7953
Synonyms :

Calculated chemistry of [ 108-75-8 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 39.13
TPSA : 12.89 Ų

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) : -5.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.08
Log Po/w (XLOGP3) : 1.88
Log Po/w (WLOGP) : 2.01
Log Po/w (MLOGP) : 1.48
Log Po/w (SILICOS-IT) : 2.73
Consensus Log Po/w : 2.03

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.27
Solubility : 0.652 mg/ml ; 0.00538 mol/l
Class : Soluble
Log S (Ali) : -1.77
Solubility : 2.04 mg/ml ; 0.0169 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.14
Solubility : 0.0882 mg/ml ; 0.000728 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.14

Safety of [ 108-75-8 ]

Signal Word:Danger Class:3,6.1
Precautionary Statements:P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P312+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501 UN#:1992
Hazard Statements:H226-H302+H332-H311-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 108-75-8 ]

* 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 [ 108-75-8 ]
  • Downstream synthetic route of [ 108-75-8 ]

[ 108-75-8 ] Synthesis Path-Upstream   1~11

  • 1
  • [ 108-75-8 ]
  • [ 54221-93-1 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1958, vol. 613, p. 153,155, 162
[2] Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 1083,1087
[3] Chemische Berichte, 1955, vol. 88, p. 1276,1281
  • 2
  • [ 110-86-1 ]
  • [ 108-75-8 ]
  • [ 7446-08-4 ]
  • [ 54221-93-1 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1958, vol. 613, p. 153,155, 162
  • 3
  • [ 108-75-8 ]
  • [ 18206-06-9 ]
Reference: [1] Chemische Berichte, 1955, vol. 88, p. 1276,1281
  • 4
  • [ 108-75-8 ]
  • [ 18088-10-3 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1887, vol. 237, p. 183
[2] Chemische Berichte, 1955, vol. 88, p. 1276,1281
  • 5
  • [ 108-75-8 ]
  • [ 142896-15-9 ]
Reference: [1] Chemische Berichte, 1955, vol. 88, p. 1276,1281
  • 6
  • [ 108-75-8 ]
  • [ 4472-55-3 ]
YieldReaction ConditionsOperation in experiment
28.9% With hydrogenchloride; chlorine In chloroform; trichloroisocyanuric acid; ethyl acetate EXAMPLE 7
2-chloromethyl-4,6-dimethyl-pyridine
A solution of 121.18 g (1 mole) of 2,4,6-collidine in 400 ml of chloroform was heated at reflux while adding in portions 140 g (0.6 mole) of trichloroisocyanuric acid (min. 90percent available chlorine) over 4 hours and stirring was continued for another 30 minutes and then cooled and filtered.
The filtrate was admixed with 150 ml of 10percent HCl to transform the product into the aqueous phase.
The decanted acid aqueous phase was mixed with 150 ml of ethyl acetate and was made alkaline with sodium hydroxide.
The decanted aqueous phase was extracted with 100 ml of ethyl acetate.
The organic phase was dried and evaporated to dryness under reduced pressure to obtain 45 g (28.9percent) of 2-chloromethyl-4,6-dimethyl pyridine with a Cl content of 22.78percent (theoretical 22.78percent) and a boiling point of 64° to 70° C. at 1 mm Hg.
Reference: [1] Chemische Berichte, 1987, vol. 120, p. 649 - 652
[2] Patent: US4719298, 1988, A,
  • 7
  • [ 108-75-8 ]
  • [ 82926-51-0 ]
  • [ 2363-59-9 ]
  • [ 111687-29-7 ]
Reference: [1] Experientia, 1951, vol. 7, p. 93
  • 8
  • [ 108-75-8 ]
  • [ 33454-82-9 ]
  • [ 107264-00-6 ]
Reference: [1] Tetrahedron, 1993, vol. 49, # 11, p. 2151 - 2158
  • 9
  • [ 108-75-8 ]
  • [ 2926-30-9 ]
  • [ 107264-00-6 ]
  • [ 135182-78-4 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 4, p. 1081 - 1092
  • 10
  • [ 108-75-8 ]
  • [ 2926-29-6 ]
  • [ 107264-00-6 ]
Reference: [1] Tetrahedron Letters, 1986, vol. 27, # 28, p. 3271 - 3274
  • 11
  • [ 108-75-8 ]
  • [ 2926-27-4 ]
  • [ 107264-00-6 ]
  • [ 135182-78-4 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 4, p. 1081 - 1092
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