1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-(4-(trifluoromethyl)phenyl)urea

Base Information

• Chemical Name: 1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-(4-(trifluoromethyl)phenyl)urea
• CAS No.: 1266681-31-5
• Molecular Formula: C₁₅H₁₂BF₃N₂O₃
• Molecular Weight: 336.078
• Mol file: 1266681-31-5.mol

Synonyms:1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-(4-(trifluoromethyl)phenyl)urea

Chemical Property of 1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-(4-(trifluoromethyl)phenyl)urea

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-(4-(trifluoromethyl)phenyl)urea

There total 4 articles about 1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-(4-(trifluoromethyl)phenyl)urea 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: 20.0%

(5-amino-2-hydroxymethylphenyl)boronic acid (117098-94-9) + p-trifluoromethyl-phenylisocyanate (1548-13-6) → 1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-(4-(trifluoromethyl)phenyl)urea (1266681-31-5)

Guidance literature:

In acetone; at 20 ℃;

DOI:10.1039/c6cc06399c

Reference yield:

3H-benzo[c][1,2]oxaborol-1-ol (5735-41-1) → 1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-(4-(trifluoromethyl)phenyl)urea (1266681-31-5)

Guidance literature:

Multi-step reaction with 3 steps

1: nitric acid / 0.42 h / -45 - -30 °C

2: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; acetic acid / 2 h / 20 °C / Inert atmosphere

3: acetone / 20 °C

With palladium 10% on activated carbon; hydrogen; nitric acid; In tetrahydrofuran; acetic acid; acetone;

DOI:10.1039/c6cc06399c

Reference yield:

1-hydroxy-6-nitro-3H-2,1-benzoxaborole (118803-40-0) → 1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-3-(4-(trifluoromethyl)phenyl)urea (1266681-31-5)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; acetic acid / 2 h / 20 °C / Inert atmosphere

2: acetone / 20 °C

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; acetic acid; acetone;

DOI:10.1039/c6cc06399c

upstream raw materials:

3H-benzo[c][1,2]oxaborol-1-ol

1-hydroxy-6-nitro-3H-2,1-benzoxaborole

(5-amino-2-hydroxymethylphenyl)boronic acid

p-trifluoromethyl-phenylisocyanate