Dimethyl(pyridin-3-yl)borane

Base Information

• Chemical Name: Dimethyl(pyridin-3-yl)borane
• CAS No.: 1003865-86-8
• Molecular Formula: C₇H₁₀BN
• Molecular Weight: 118.974
• DSSTox Substance ID: DTXSID30596082
• Nikkaji Number: J1.951.767E
• Wikidata: Q82491218
• Mol file: 1003865-86-8.mol

Synonyms:dimethyl(pyridin-3-yl)borane;1003865-86-8;3-(DIMETHYLBORYL)-PYRIDINE;SCHEMBL3889304;DTXSID30596082;3-(Dimethylboranyl)pyridinato(2-);DB-243438

Chemical Property of Dimethyl(pyridin-3-yl)borane

Chemical Property:

• Boiling Point: 162.2±22.0 °C(Predicted)
• PKA: 4.40±0.12(Predicted)
• Density: 0.86±0.1 g/cm3(Predicted)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 119.0906295
• Heavy Atom Count: 9
• Complexity: 83

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B(C)(C)C1=CN=CC=C1

Technology Process of Dimethyl(pyridin-3-yl)borane

There total 1 articles about Dimethyl(pyridin-3-yl)borane 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:

methyllithium (917-54-4) + 3-pyridylboronic acid (1692-25-7) → 3-(dimethylboryl)pyridine (1003865-86-8)

Guidance literature:

3-pyridylboronic acid; With methanol; at 80 ℃; for 0.5h;

methyllithium; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃; for 12h; Further stages.;

DOI:10.1021/jo7018043

Reference yield: 68.23%

3-(dimethylboryl)pyridine (1003865-86-8) + (E)-1-(2-bromophenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one → (E)-3-(4-methoxyphenyl)-1-(2-(pyridin-3-yl)phenyl)prop-2-en-1-one

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate; In 1,4-dioxane; at 150 ℃; for 0.333333h; Microwave irradiation; Sealed tube;

DOI:10.1021/jm500024v

Reference yield: 65.0%

3-(dimethylboryl)pyridine (1003865-86-8) + 17-iodo-5,16-androstadien-3-ol (32138-69-5) → abiraterone (154229-19-3)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In methanol; water; at 65 - 70 ℃; for 28h;

upstream raw materials:

methyllithium

3-pyridylboronic acid

Downstream raw materials:

abiraterone