5-CYANO-1H-INDOLE-2-BORONIC ACID

Base Information

• Chemical Name: 5-CYANO-1H-INDOLE-2-BORONIC ACID
• CAS No.: 871329-64-5
• Molecular Formula: C9H7 B N2 O2
• Molecular Weight: 185.978
• Hs Code.: 2933998090
• Mol file: 871329-64-5.mol

Synonyms:Boronicacid, (5-cyano-1H-indol-2-yl)- (9CI)

Chemical Property of 5-CYANO-1H-INDOLE-2-BORONIC ACID

Chemical Property:

• Melting Point: 220-226℃
• PSA: 80.04000
• LogP: -0.28062
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

5-Cyano-1H-indole-2-boronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-CYANO-1H-INDOLE-2-BORONIC ACID

There total 1 articles about 5-CYANO-1H-INDOLE-2-BORONIC ACID 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:

1-(tert-butoxycarbonyl)-1H-indole-5-carbonitrile (475102-10-4) → 5-cyanoindole-2-boronic acid (871329-64-5) + (1-(tert-butoxycarbonyl)-5-cyano-1H-indol-2-yl)boronic acid (475102-15-9)

Guidance literature:

With Triisopropyl borate; lithium diisopropyl amide; In tetrahydrofuran; cyclohexane; at 0 - 20 ℃; for 2.33333h;

Reference yield:

5-cyanoindole-2-boronic acid (871329-64-5) + 4,6-dichloro-5-methoxypyrimidine (5018-38-2) → C14H9ClN4O (1264926-34-2)

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; toluene; at 140 ℃; Inert atmosphere; in a pressure tube; microwave reactor;

Reference yield:

5-cyanoindole-2-boronic acid (871329-64-5) → 2-[5-methoxy-6-(4-methylphenyl)-4-pyrimidinyl]-1H-indole-5-carbonitrile (1264924-22-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene; 1,2-dimethoxyethane; water / 140 °C / Inert atmosphere; in a pressure tube; microwave reactor

2: potassium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene; 1,2-dimethoxyethane; water / 16 h / 100 °C / Inert atmosphere

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; toluene;

upstream raw materials:

1-(tert-butoxycarbonyl)-1H-indole-5-carbonitrile

Downstream raw materials:

C₁₄H₉ClN₄O

2-[5-methoxy-6-(4-methylphenyl)-4-pyrimidinyl]-1H-indole-5-carbonitrile

4-[5-(aminomethyl)-1H-indol-2-yl]-6-(4-methylphenyl)-5-pyrimidinol

C₂₀H₁₄N₄O

Refernces