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Chemistry
Heterocyclic Building Blocks
Pyridines
2,6-dibromopyridine
2,6-Dibromopyridin-3-amine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Amines Bromides
2,6-dibromopyridine
dibromopyridine

[ CAS No. 39856-57-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 39856-57-0
Chemical Structure| 39856-57-0
Structure of 39856-57-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 39856-57-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 39856-57-0 ]

SDS Specification
Alternatived Products of [ 39856-57-0 ]
Product Citations

Product Details of [ 39856-57-0 ]

CAS No. :39856-57-0 MDL No. :MFCD00128862
Formula : C5H4Br2N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :CRTOIQFRVBJJRI-UHFFFAOYSA-N
M.W : 251.91 Pubchem ID :817678
Synonyms :

Calculated chemistry of [ 39856-57-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 44.04
TPSA : 38.91 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) : -6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.72
Log Po/w (XLOGP3) : 2.22
Log Po/w (WLOGP) : 2.2
Log Po/w (MLOGP) : 1.36
Log Po/w (SILICOS-IT) : 2.06
Consensus Log Po/w : 1.91

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.29
Solubility : 0.128 mg/ml ; 0.000508 mol/l
Class : Soluble
Log S (Ali) : -2.67
Solubility : 0.536 mg/ml ; 0.00213 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.38
Solubility : 0.106 mg/ml ; 0.000422 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.96

Safety of [ 39856-57-0 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H317-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 39856-57-0 ]

* 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.

  • Downstream synthetic route of [ 39856-57-0 ]

[ 39856-57-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 39856-57-0 ]
  • [ 13250-46-9 ]
  • [ 1112982-76-9 ]
YieldReaction ConditionsOperation in experiment
100% In acetone; at 65 - 70℃; for 2.5h; Example 146 (Method N); N-(5-(3-(4-methoxyphenylsulfonamido)phenyl)thiazolo[5,4-b]pyridin-2-yl)acetamide; Step 1. N-(5-bromothiazolor5,4-blpyridin-2-yl)acetamide; 2,6-dibromopyridin-3-amine (4.235 g, 16.8 mmol) was dissolved in acetone and acetyl isothiocyanate(1.85 ml, 21.0 mmol) was added. The flask was fit with a reflux condensor and placed in a preheated oil bath (65 - 70 C) and stirred under nitrogen for 2.5 hours. Then, the reaction was cooled to room temperature, poured into water, and filtered. The solid was washed with water, saturated sodium bicarbonate, and water again, and then collected and dried under high vacuum to afford N-(5- bromothiazolo[5,4-b]pyridin-2-yl)acetamide (5.54 g, Yield > 100%).MS (ESI pos. ion) m/z: 272 (MH+, 79Br), 274 (MH+, 81Br). Calculated exact mass for C8H6BrN3OS 271 (79Br), 273 (81Br).
Reference： [1]Patent: WO2009/17822,2009,A2 .Location in patent: Page/Page column 81

Tags: 39856-57-0 synthesis path| 39856-57-0 SDS| 39856-57-0 COA| 39856-57-0 purity| 39856-57-0 application| 39856-57-0 NMR| 39856-57-0 COA| 39856-57-0 structure

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Categories
Chemistry
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Pyridines
2,6-dibromopyridine
Chemistry
Heterocyclic Building Blocks
Pyridines
dibromopyridine
Chemistry
Organic Building Blocks
Bromides
2,6-dibromopyridine
Chemistry
Organic Building Blocks
Amines

Technical Information

• Alkyl Halide Occurrence • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Hydride Reductions • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Leuckart-Wallach Reaction • Mannich Reaction • Petasis Reaction • Preparation of Amines • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Dihalides • Specialized Acylation Reagents-Vilsmeier Reagent • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Ugi Reaction
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