2-Bromo-4-fluoro-1-isopropoxybenzene

Base Information

• Chemical Name: 2-Bromo-4-fluoro-1-isopropoxybenzene
• CAS No.: 202865-79-0
• Molecular Formula: C₉H₁₀BrFO
• Molecular Weight: 233.08
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID90378427
• Wikidata: Q82167929
• Mol file: 202865-79-0.mol

Synonyms:2-bromo-4-fluoro-1-isopropoxybenzene;202865-79-0;2-(2'-Bromo-4'-fluorophenoxy)propane;2-bromo-4-fluoro-1-propan-2-yloxybenzene;2-(2-bromo-4-fluorophenoxy)propane;2-BROMO-4-FLUORO-1-(PROPAN-2-YLOXY)BENZENE;2-bromo-4-fluoro-1-isopropoxy-benzene;Benzene,2-bromo-4-fluoro-1-(1-methylethoxy)-;SCHEMBL4349038;DTXSID90378427;HFSLIMXPHXLCKX-UHFFFAOYSA-N;5-Fluoro-2-isopropoxyphenyl bromide;MFCD00070761;2-bromo4-fluoro-1-isopropoxy-benzene;AKOS000172009;PS-7684;2-Bromo-4-fluoro-1-(1-methylethoxy)benzene;CS-0195408;FT-0709869;E89376;A814395

Chemical Property of 2-Bromo-4-fluoro-1-isopropoxybenzene

Chemical Property:

• Vapor Pressure: 0.0497mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 243.6 °C at 760 mmHg
• Flash Point: 123.6 °C
• PSA: 9.23000
• Density: 1.393 g/cm³
• LogP: 3.37540
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.98991
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

2-(2''-Bromo-4''-fluorophenoxy)propane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)F)Br

Technology Process of 2-Bromo-4-fluoro-1-isopropoxybenzene

There total 1 articles about 2-Bromo-4-fluoro-1-isopropoxybenzene 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:

2-bromo-4-fluoro-phenol (496-69-5) → 2-bromo-4-fluoro-1-isopropoxybenzene (202865-79-0)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 8h;

DOI:10.1016/j.bmcl.2007.04.098

Reference yield:

2-bromo-4-fluoro-1-isopropoxybenzene (202865-79-0) → C25H39FN2O3 (946605-80-7)

Guidance literature:

Multi-step reaction with 5 steps

1.1: nBuLi / tetrahydrofuran / 1 h / -78 °C

1.2: tetrahydrofuran

2.1: 50 percent / MsCl; Et₃N / CH₂Cl₂ / 12 h / -78 °C

3.1: 80 percent / H₂ / Pd/C / 8 h / 20 °C / 2327.23 Torr

4.1: 100 percent / TFA / CH₂Cl₂ / 3 h / 0 °C

5.1: NaBH(OAc)3; AcOH / CH₂Cl₂ / 8 h / 20 °C

With n-butyllithium; hydrogen; sodium tris(acetoxy)borohydride; acetic acid; methanesulfonyl chloride; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2007.04.098

Reference yield:

2-bromo-4-fluoro-1-isopropoxybenzene (202865-79-0) → C20H31FN2O (946605-84-1)

Guidance literature:

Multi-step reaction with 6 steps

1.1: nBuLi / tetrahydrofuran / 1 h / -78 °C

1.2: tetrahydrofuran

2.1: 50 percent / MsCl; Et₃N / CH₂Cl₂ / 12 h / -78 °C

3.1: 80 percent / H₂ / Pd/C / 8 h / 20 °C / 2327.23 Torr

4.1: 100 percent / TFA / CH₂Cl₂ / 3 h / 0 °C

5.1: NaBH(OAc)3; AcOH / CH₂Cl₂ / 8 h / 20 °C

6.1: CF₃CO₂H / CH₂Cl₂ / 2 h / 20 °C

With n-butyllithium; hydrogen; sodium tris(acetoxy)borohydride; acetic acid; methanesulfonyl chloride; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2007.04.098

upstream raw materials:

2-bromo-4-fluoro-phenol

Downstream raw materials:

C₁₉H₂₈FNO₄

C₁₉H₂₆FNO₃

C₁₉H₂₈FNO₃

C₁₄H₂₀FNO