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Chemistry
Heterocyclic Building Blocks
Pyridines
4,6-dichloropyridin-2-amine
2-Amino-4,6-dichloronicotinic acid
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Chlorides Carboxylic Acids
4,6-dichloropyridin-2-amine
dichloronicotinic

[ CAS No. 1864073-67-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
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3d Animation Molecule Structure of 1864073-67-5
Chemical Structure| 1864073-67-5
Chemical Structure| 1864073-67-5
Structure of 1864073-67-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1864073-67-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1864073-67-5 ]

SDS Specification
Alternatived Products of [ 1864073-67-5 ]
Product Citations

Product Details of [ 1864073-67-5 ]

CAS No. :1864073-67-5 MDL No. :MFCD29041136
Formula : C6H4Cl2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :YWMSCKNECPYDLX-UHFFFAOYSA-N
M.W : 207.01 Pubchem ID :90008713
Synonyms :

Calculated chemistry of [ 1864073-67-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 45.62
TPSA : 76.21 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.02 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.0
Log Po/w (XLOGP3) : 2.17
Log Po/w (WLOGP) : 1.68
Log Po/w (MLOGP) : -0.09
Log Po/w (SILICOS-IT) : 1.35
Consensus Log Po/w : 1.22

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.79
Solubility : 0.332 mg/ml ; 0.0016 mol/l
Class : Soluble
Log S (Ali) : -3.4
Solubility : 0.0818 mg/ml ; 0.000395 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.28
Solubility : 1.09 mg/ml ; 0.00527 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.82

Safety of [ 1864073-67-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 1864073-67-5 ]

* 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 [ 1864073-67-5 ]

[ 1864073-67-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1044872-40-3 ]
  • [ 1864073-67-5 ]
YieldReaction ConditionsOperation in experiment
4.1 g With lithium hydroxide monohydrate; sodium hydroxide In tetrahydrofuran; methanol at 20℃; for 3h; 15.1 Step-1: 2-amino-4,6-dichloropyridine-3-carboxylic acid (I-116b): To a stirred solution of I-116a (5.00 g, 22.6 mmol) in THF (80.0 mL) and MeOH (20.0 mL) was added aqueous NaOH (20 mL). Then, the reaction mixture was stirred at room temperature for 3 h. After completion, volatiles were evaporated under reduced pressure and water (150 mL) was added to it. It was then acidified using 1N HCl solution and extracted with EtOAc (50 mL x 3). The combined organic extracts were washed with water (50 mL), brine (50 mL), dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford 2-amino-4,6- dichloropyridine-3-carboxylic acid I-116b (4.1 g) as a pale yellow solid. LCMS (ES) m/z; 207.0 [M+H]+
4.1 g With lithium hydroxide monohydrate; sodium hydroxide In tetrahydrofuran; methanol at 20℃; for 3h; 15.1 Step-1: 2-amino-4,6-dichloropyridine-3-carboxylic acid (I-116b): To a stirred solution of I-116a (5.00 g, 22.6 mmol) in THF (80.0 mL) and MeOH (20.0 mL) was added aqueous NaOH (20 mL). Then, the reaction mixture was stirred at room temperature for 3 h. After completion, volatiles were evaporated under reduced pressure and water (150 mL) was added to it. It was then acidified using 1N HCl solution and extracted with EtOAc (50 mL x 3). The combined organic extracts were washed with water (50 mL), brine (50 mL), dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford 2-amino-4,6- dichloropyridine-3-carboxylic acid I-116b (4.1 g) as a pale yellow solid. LCMS (ES) m/z; 207.0 [M+H]+
Reference： [1]Current Patent Assignee: SUDO BIOSCIENCES LTD - WO2022/136914, 2022, A1 Location in patent: Paragraph 00266
[2]Current Patent Assignee: SUDO BIOSCIENCES LTD - WO2022/136914, 2022, A1 Location in patent: Paragraph 00266

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Categories
Chemistry
Heterocyclic Building Blocks
Pyridines
4,6-dichloropyridin-2-amine
Chemistry
Organic Building Blocks
Chlorides
4,6-dichloropyridin-2-amine
Chemistry
Organic Building Blocks
Chlorides
dichloronicotinic
Chemistry
Organic Building Blocks
Carboxylic Acids

Technical Information

• Acid-Catalyzed α -Halogenation of Ketones • Acids Combine with Acyl Halides to Produce Anhydrides • Acyl Chloride Hydrolysis • Addition of a Hydrogen Halide to an Internal Alkyne • Alcohols from Haloalkanes by Acetate Substitution-Hydrolysis • Alkyl Halide Occurrence • Alkylation of an Alkynyl Anion • Amide Hydrolysis • Amide Hydrolysis • An Alkane are Prepared from an Haloalkane • Anhydride Hydrolysis • Arndt-Eistert Homologation • Carbonation of Organometallics • Carboxylate Salt Formation • Carboxylic Acids React with Alcohols to Form Esters • Chichibabin Reaction • Chloroalkane Synthesis with SOCI2 • Convert Haloalkanes into Alcohols by SN2 • Decarboxylation of Substituted Propanedioic • Deprotection of Cbz-Amino Acids • Esters Hydrolyze to Carboxylic Acids and Alcohols • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Friedel-Crafts Alkylation of Benzene with Haloalkanes • General Reactivity • Grignard Reaction • Halogenation of Alkenes • Hantzsch Pyridine Synthesis • Hiyama Cross-Coupling Reaction • Hunsdiecker-Borodin Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Methylation of Ammonia • Nitriles Hydrolyze to Carboxylic Acids • Oxidation of Aldehydes Furnishes Carboxylic Acids • Oxidation of Primary Alcohols Furnishes Carboxylic Acids • Passerini Reaction • Peptide Bond Formation with DCC • Periodic Acid Degradation of Sugars • Preparation of Amines • Preparation of Carboxylic Acids • Pyridines React with Grignard or Organolithium Reagents • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Carboxylic Acids • Reduction of Carboxylic Acids by LiAlH4 • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • The Conversion of Carboxylic Acids into Acyl Halides • Ugi Reaction
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