1-(4-Bromobutoxy)-4-fluorobenzene

Base Information

• Chemical Name: 1-(4-Bromobutoxy)-4-fluorobenzene
• CAS No.: 2033-80-9
• Molecular Formula: C10H12 Br F O
• Molecular Weight: 247.107
• Hs Code.: 29093038
• DSSTox Substance ID: DTXSID40428289
• Wikidata: Q82241105
• Mol file: 2033-80-9.mol

Synonyms:1-(4-bromobutoxy)-4-fluorobenzene;2033-80-9;4-Fluorophenoxybutyl bromide;SCHEMBL3098656;DTXSID40428289;SESKDKZVNDEQBM-UHFFFAOYSA-N;1-Bromo-4-(p-fluorophenoxy)butane;4-(4-fluorophenyl)oxybutyl bromide;AKOS000343580;FT-0747092

Chemical Property of 1-(4-Bromobutoxy)-4-fluorobenzene

Chemical Property:

• Vapor Pressure: 0.00177mmHg at 25°C
• Boiling Point: 195 °C (12 mmHg)
• Flash Point: 164.2°C
• PSA: 9.23000
• Density: 1.37g/cm³
• LogP: 3.37960
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 246.00556
• Heavy Atom Count: 13
• Complexity: 124

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-BROMOBUTOXY)-4-FLUOROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-20/22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCCCBr)F

Technology Process of 1-(4-Bromobutoxy)-4-fluorobenzene

There total 5 articles about 1-(4-Bromobutoxy)-4-fluorobenzene 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: 92.0%

1-(but-3-en-1-yloxy)-4-fluorobenzene → 1-bromo-4-(p-fluorophenoxy)butane (2033-80-9)

Guidance literature:

With silver(I) bromide; trimethylsilyl bromide; oxygen; cyclo-octa-1,5-diene; In dichloromethane; water; at 20 ℃;

DOI:10.1021/acs.orglett.1c02186

Reference yield: 66.0%

1,4-dibromo-butane (110-52-1) + 4-Fluorophenol (371-41-5) → 1-bromo-4-(p-fluorophenoxy)butane (2033-80-9)

Guidance literature:

With potassium hydroxide; potassium iodide; In methanol;

Reference yield:

4-Fluorophenol (371-41-5) → 1-bromo-4-(p-fluorophenoxy)butane (2033-80-9)

Guidance literature:

Multi-step reaction with 2 steps

1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran

2: silver(I) bromide; cyclo-octa-1,5-diene; trimethylsilyl bromide; oxygen / dichloromethane; water / 20 °C

With silver(I) bromide; trimethylsilyl bromide; di-isopropyl azodicarboxylate; oxygen; triphenylphosphine; cyclo-octa-1,5-diene; In tetrahydrofuran; dichloromethane; water;

DOI:10.1021/acs.orglett.1c02186

upstream raw materials:

1,4-dibromo-butane

4-Fluorophenol

sodium 4-fluorophenoxide

Downstream raw materials:

C₁₁H₁₆FNO

1-(4-(4-fluorophenoxy)butyl)-4-(2-methoxyphenyl)piperazine

2-[5-(4-fluorophenoxy)pentyl]-3-methylquinolin-4(1H)-one

8-fluoro-5-(4-(4-fluorophenoxy)butyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Refernces

• 1、 Seanego, Tswene D.,Klein, Hanna F.,Jansen van Vuuren, Natasha C.,Van Zyl, Robyn L.,Rousseau, Amanda L.. "Pyrimidine-2,4-diamines as antiplasmodial antifolates". . p. 344 - 361. Retrieved 2020/10/30.
• 2、 Chen, Kaixuan,Jiang, Zhenzhou,Liu, Shuwen,Xi, Baomin,Yang, Fubiao,Zeng, Li-Yan,Zeng, Yunong. "The one-pot synthesis of butyl-1H-indol-3-alkylcarboxylic acid derivatives in ionic liquid as potent dual-acting agent for management of BPH". . . Retrieved 2020/09/18.