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Chemistry
Heterocyclic Building Blocks
Pyridines
2,6-Dichloro-N,N-dimethylpyridin-4-amine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Amines Chlorides

[ CAS No. 175461-34-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 175461-34-4
Chemical Structure| 175461-34-4
Chemical Structure| 175461-34-4
Structure of 175461-34-4 * Storage: {[proInfo.prStorage]}
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For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 175461-34-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 175461-34-4 ]

SDS Specification
Alternatived Products of [ 175461-34-4 ]

Product Details of [ 175461-34-4 ]

CAS No. :175461-34-4 MDL No. :MFCD09031039
Formula : C7H8Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :ICCXLXKIEYEONV-UHFFFAOYSA-N
M.W : 191.06 Pubchem ID :12175136
Synonyms :

Calculated chemistry of [ 175461-34-4 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.46
TPSA : 16.13 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) : -5.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.2
Log Po/w (XLOGP3) : 2.18
Log Po/w (WLOGP) : 2.45
Log Po/w (MLOGP) : 1.67
Log Po/w (SILICOS-IT) : 2.17
Consensus Log Po/w : 2.13

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.74
Solubility : 0.351 mg/ml ; 0.00184 mol/l
Class : Soluble
Log S (Ali) : -2.15
Solubility : 1.35 mg/ml ; 0.00705 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.37
Solubility : 0.0815 mg/ml ; 0.000427 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.64

Safety of [ 175461-34-4 ]

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 [ 175461-34-4 ]

* 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 [ 175461-34-4 ]
  • Downstream synthetic route of [ 175461-34-4 ]

[ 175461-34-4 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 16063-69-7 ]
  • [ 506-59-2 ]
  • [ 175461-34-4 ]
YieldReaction ConditionsOperation in experiment
4 g With triethylamine In N,N-dimethyl-formamide at 80℃; for 8 h; Sealed tube EXAMPLE 12-11Preparation of Compound 12-TT[0705j A mixture of 12-SS (10.0 g, 55.6 mmol), dimethylamine hydrochloride (4.5 g, 55.6 mmol) and Et3N (8.0 g, 55.6 mmol) in DMF (80 mL) in a sealed tube was heated to 80°C for 8 h. The mixture was diluted with water and extracted with EtOAc. The combined organic layers were washed with brine, dried over Na2SO4 and concentrated. The residue was purified on a silica gel column to give 12-TT (4.0 g) as a white solid. ‘H-NMR:DMSO (400MHz): ö = 6.66 (s, 2 H), 2.99 (s, 6 H).
Reference： [1] Patent: WO2014/31784, 2014, A1, . Location in patent: Paragraph 0705
  • 2
  • [ 16063-69-7 ]
  • [ 124-40-3 ]
  • [ 175461-34-4 ]
Reference： [1] Journal of Organic Chemistry, 2005, vol. 70, # 7, p. 2494 - 2502
[2] Angewandte Chemie - International Edition, 2016, vol. 55, # 40, p. 12321 - 12324[3] Angew. Chem., 2016, vol. 128, p. 12509 - 12512,4
  • 3
  • [ 2402-78-0 ]
  • [ 175461-34-4 ]
Reference： [1] Journal of Organic Chemistry, 2005, vol. 70, # 7, p. 2494 - 2502
[2] Angewandte Chemie - International Edition, 2016, vol. 55, # 40, p. 12321 - 12324[3] Angew. Chem., 2016, vol. 128, p. 12509 - 12512,4
  • 4
  • [ 98027-84-0 ]
  • [ 175461-34-4 ]
Reference： [1] Journal of Organic Chemistry, 2005, vol. 70, # 7, p. 2494 - 2502
  • 5
  • [ 16063-69-7 ]
  • [ 124-40-3 ]
  • [ 175461-34-4 ]
Reference： [1] Angewandte Chemie - International Edition, 2015, vol. 54, # 8, p. 2497 - 2500[2] Angew. Chem., 2015, vol. 127, # 8, p. 2527 - 2530,4
[3] Inorganic Chemistry, 2017, vol. 56, # 10, p. 5930 - 5940
  • 6
  • [ 2587-00-0 ]
  • [ 175461-34-4 ]
Reference： [1] Angewandte Chemie - International Edition, 2016, vol. 55, # 40, p. 12321 - 12324[2] Angew. Chem., 2016, vol. 128, p. 12509 - 12512,4

Tags: 175461-34-4 synthesis path| 175461-34-4 SDS| 175461-34-4 COA| 175461-34-4 purity| 175461-34-4 application| 175461-34-4 NMR| 175461-34-4 COA| 175461-34-4 structure

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