2-(Dimethylamino)pyridine-5-boronic acid hydrate

Base Information

• Chemical Name: 2-(Dimethylamino)pyridine-5-boronic acid hydrate
• CAS No.: 579525-46-5
• Molecular Formula: C7H11BN2O2^.H2O
• Molecular Weight: 165.988
• Hs Code.: 2933399090
• European Community (EC) Number: 640-722-9
• DSSTox Substance ID: DTXSID60376859
• Nikkaji Number: J1.908.005F
• Wikidata: Q72469209
• Mol file: 579525-46-5.mol

Synonyms:[2-(Dimethylamino)-pyridin-5-yl]boronic acid;[2-(N,N-Dimethylamino)pyridin-5-yl]boronicacid;Boronicacid, [6-(dimethylamino)-3-pyridinyl]- (9CI);[6-(Dimethylamino)pyridin-3-yl]boronic acid;

Chemical Property of 2-(Dimethylamino)pyridine-5-boronic acid hydrate

Chemical Property:

• Vapor Pressure: 1.44E-05mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 352.3ºC at 760 mmHg
• PKA: 4.21±0.10(Predicted)
• Flash Point: 166.8ºC
• PSA: 65.82000
• Density: 1.19g/cm3
• LogP: -1.23690
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 166.0913578
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

6-(Dimethylamino)pyridine-3-boronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CN=C(C=C1)N(C)C)(O)O
• Uses: 2-(Dimethylamino)pyridine-5-boronic acid, hydrade

Technology Process of 2-(Dimethylamino)pyridine-5-boronic acid hydrate

There total 5 articles about 2-(Dimethylamino)pyridine-5-boronic acid hydrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

→ 6-(dimethylamino)pyridin-3-ylboronic acid (579525-46-5)

Guidance literature:

Reference yield: 25.0%

5-bromo-2-dimethylaminopyridine (26163-07-5) + bis(pinacol)diborane (73183-34-3) → 6-(dimethylamino)pyridin-3-ylboronic acid (579525-46-5)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 100 ℃; Inert atmosphere;

Reference yield:

5-bromo-2-dimethylaminopyridine (26163-07-5) + Triisopropyl borate (5419-55-6) → 6-(dimethylamino)pyridin-3-ylboronic acid (579525-46-5)

Guidance literature:

5-bromo-2-dimethylaminopyridine; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.333333h;

Triisopropyl borate; In tetrahydrofuran; at -78 ℃; for 2h; Further stages.;

DOI:10.1002/adsc.200202191

upstream raw materials:

5-bromo-2-dimethylaminopyridine

Triisopropyl borate

2,5-dibromopyridine

5-bromo-2-fluoropyridine

Downstream raw materials:

[Fe(C₅H₅)(C₅H₃C₄H₂N₂C₅H₃N(N(CH₃)2))PdCl(P(C₆H₅)3)]

C₂₁H₂₀N₆O₃S

C₁₄H₁₇N₃O₂S

C₁₆H₁₉N₃O₃S

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