4-Fluorobenzo[c][1,2]oxaborol-1(3h)-ol

Base Information

• Chemical Name: 4-Fluorobenzo[c][1,2]oxaborol-1(3h)-ol
• CAS No.: 174671-88-6
• Molecular Formula: C7H6BFO2
• European Community (EC) Number: 878-178-1
• ChEMBL ID: CHEMBL211753
• Mol file: 174671-88-6.mol

Synonyms:174671-88-6;4-fluorobenzo[c][1,2]oxaborol-1(3h)-ol;4-fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol;2,1-Benzoxaborole, 4-fluoro-1,3-dihydro-1-hydroxy-;4-fluoro-1-hydroxy-3H-2,1-benzoxaborole;4-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole;SCHEMBL500025;CHEMBL211753;TQP1534;ZGA67188;MFCD27946158;AKOS037621467;AS-65614;CS-0078595;EN300-262858;N16983;Z1862025387;(2S,4S)-4-Hydroxy-1,2-piperidinedicarboxylic Acid 1-(9H-Fluoren-9-ylmethyl) Ester

Chemical Property of 4-Fluorobenzo[c][1,2]oxaborol-1(3h)-ol

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.0444878
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B1(C2=C(CO1)C(=CC=C2)F)O

Technology Process of 4-Fluorobenzo[c][1,2]oxaborol-1(3h)-ol

There total 6 articles about 4-Fluorobenzo[c][1,2]oxaborol-1(3h)-ol 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%

→ 1,3-Dihydro-4-fluoro-1-hydroxy-2,1-benzoxaborole (174671-88-6)

Guidance literature:

Reference yield:

2-bromo-6-fluorobenzoic acid (2252-37-1) → 1,3-Dihydro-4-fluoro-1-hydroxy-2,1-benzoxaborole (174671-88-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: BH₃*THF / tetrahydrofuran / 20 °C

2.1: i-Pr₂NEt / CH₂Cl₂ / 20 °C

3.1: n-BuLi / tetrahydrofuran; hexane / 0.75 h / -78 °C

3.2: (i-PrO)3B / tetrahydrofuran; hexane / 1.5 h / -78 - 20 °C

3.3: aq. HCl / tetrahydrofuran; hexane

4.1: aq. HCl / tetrahydrofuran / 30 °C

With hydrogenchloride; n-butyllithium; borane-THF; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1021/jm0603724

Reference yield:

C9H12BFO4 → 1,3-Dihydro-4-fluoro-1-hydroxy-2,1-benzoxaborole (174671-88-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 30 ℃;

DOI:10.1021/jm0603724

upstream raw materials:

(2-bromo-6-fluorophenyl)methanol

2-bromo-6-fluoro-1-(methoxymethoxymethyl)benzene

2-bromo-6-fluorobenzoic acid

(3-fluoro-2-formylphenyl)boronic acid