2-Bromo-4-chloro-6-fluorophenol

Base Information

• Chemical Name: 2-Bromo-4-chloro-6-fluorophenol
• CAS No.: 886499-88-3
• Molecular Formula: C6H3BrClFO
• Molecular Weight: 225.445
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID60397140
• Wikidata: Q82198224
• Mol file: 886499-88-3.mol

Synonyms:2-bromo-4-chloro-6-fluorophenol;886499-88-3;SCHEMBL1163160;DTXSID60397140;VGDYUSDMWUDGAB-UHFFFAOYSA-N;2-Bromo-4-chloro -6-fluorophenol;MFCD04115955;AKOS015956843;AM62595;CS-W013041;AS-10261;2-bromanyl-4-chloranyl-6-fluoranyl-phenol;FT-0740892;EN300-2163608;A842814;Z1269204920

Chemical Property of 2-Bromo-4-chloro-6-fluorophenol

Chemical Property:

• Refractive Index: 1.5820
• Boiling Point: 205.3±35.0 °C(Predicted)
• PKA: 6.74±0.23(Predicted)
• PSA: 20.23000
• Density: 1.875±0.06 g/cm3(Predicted)
• LogP: 2.94720
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 223.90398
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-4-chloro-6-fluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)O)Br)Cl

Technology Process of 2-Bromo-4-chloro-6-fluorophenol

There total 1 articles about 2-Bromo-4-chloro-6-fluorophenol 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:

4-chloro-2-fluorophenol (348-62-9) → 2-bromo-4-chloro-6-fluorophenol (886499-88-3)

Guidance literature:

With bromine; In acetic acid; at 20 ℃;

Reference yield: 90.0%

diethyl sulfate (64-67-5) + 2-bromo-4-chloro-6-fluorophenol (886499-88-3) → 1-bromo-5-chloro-2-ethoxy-3-fluorobenzene (1265218-86-7)

Guidance literature:

With sodium carbonate; In acetone; at 20 ℃; for 1.333h;

Reference yield:

2-bromo-4-chloro-6-fluorophenol (886499-88-3) → N-benzyl-2-(4-ethoxy-5-fluoro-1-methyl-1H-indol-3-yl)ethanamine (1265217-39-7)

Guidance literature:

Multi-step reaction with 11 steps

1.1: sodium carbonate / acetone / 1.33 h / 20 °C

2.1: nitric acid; sulfuric acid / 2 h / 20 °C

3.1: hydrogenchloride; tin(ll) chloride / ethanol / 4 h / 20 °C

4.1: 1 h / 20 °C

5.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 20 °C

5.2: 20 °C

6.1: N-ethyl-N,N-diisopropylamine; tetrabutylammomium bromide / palladium diacetate / N,N-dimethyl-formamide / 3 h / 80 °C / Inert atmosphere

7.1: potassium carbonate / acetone / Reflux

8.1: triethylamine; hydrogen / palladium on carbon / methanol / 20 °C

9.1: sodium hydroxide; water / methanol / 1 h / Reflux

9.2: pH 7

10.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C

11.1: lithium aluminium tetrahydride; aluminum (III) chloride / tetrahydrofuran / 20 °C

With hydrogenchloride; aluminum (III) chloride; lithium aluminium tetrahydride; sulfuric acid; tetrabutylammomium bromide; water; hydrogen; nitric acid; sodium hydride; sodium carbonate; potassium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; tin(ll) chloride; sodium hydroxide; palladium on carbon; palladium diacetate; In tetrahydrofuran; methanol; ethanol; N,N-dimethyl-formamide; acetone; mineral oil;

upstream raw materials:

4-chloro-2-fluorophenol

Downstream raw materials:

1-bromo-5-chloro-2-ethoxy-3-fluorobenzene

3-bromo-1-chloro-4-ethoxy-5-fluoro-2-nitrobenzene

2-bromo-6-chloro-3-ethoxy-4-fluorobenzenamine

N-(2-bromo-6-chloro-3-ethoxy-4-fluorophenyl)acetamide

Refernces