C₅₆H₆₁BN₆O₂

Base Information

• Chemical Name: C₅₆H₆₁BN₆O₂
• CAS No.: 1391916-68-9
• Molecular Formula: C₅₆H₆₁BN₆O₂
• Molecular Weight: 860.95
• Mol file: 1391916-68-9.mol

Synonyms:

Chemical Property of C₅₆H₆₁BN₆O₂

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₅₆H₆₁BN₆O₂

There total 3 articles about C₅₆H₆₁BN₆O₂ 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: 85.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + C53H56BIN6 (1391916-66-7) → C56H61BN6O2 (1391916-68-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; triethylamine; at 60 ℃; for 5h; Inert atmosphere;

DOI:10.1002/chem.201103613

Reference yield:

4-[3-(dimethylamino)-1-propyn-1-yl]benzaldehyde (860003-14-1) → C56H61BN6O2 (1391916-68-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: piperidine / toluene / 2 h / 140 °C / Inert atmosphere

2.1: ethylmagnesium bromide / tetrahydrofuran / 1 h / 60 °C / Inert atmosphere

2.2: 0.25 h / 60 °C / Inert atmosphere

3.1: bis-triphenylphosphine-palladium(II) chloride; triethylamine / 5 h / 60 °C / Inert atmosphere

With piperidine; bis-triphenylphosphine-palladium(II) chloride; ethylmagnesium bromide; triethylamine; In tetrahydrofuran; toluene; 1.1: Knoevenagel condensation;

DOI:10.1002/chem.201103613

Reference yield:

[(C(C4HN(CH3)CHCHC6H4C2CH2N(CH3)2)2C6H4I)BF2] (1263506-67-7) → C56H61BN6O2 (1391916-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethylmagnesium bromide / tetrahydrofuran / 1 h / 60 °C / Inert atmosphere

1.2: 0.25 h / 60 °C / Inert atmosphere

2.1: bis-triphenylphosphine-palladium(II) chloride; triethylamine / 5 h / 60 °C / Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; ethylmagnesium bromide; triethylamine; In tetrahydrofuran;

DOI:10.1002/chem.201103613

upstream raw materials:

4-[3-(dimethylamino)-1-propyn-1-yl]benzaldehyde

[(C(C₄HN(CH₃)CHCHC₆H₄C₂CH₂N(CH₃)2)2C₆H₄I)BF₂]

ethanol

carbon monoxide

Downstream raw materials:

C₆₈H₈₅BN₆O₁₄S₄

C₆₆H₈₁BN₆O₁₄S₄