1-(3-Bromopropoxy)-4-fluorobenzene

Base Information

• Chemical Name: 1-(3-Bromopropoxy)-4-fluorobenzene
• CAS No.: 1129-78-8
• Molecular Formula: C9H10 Br F O
• Molecular Weight: 233.08
• Hs Code.: 29093038
• European Community (EC) Number: 856-885-6
• NSC Number: 90824
• DSSTox Substance ID: DTXSID10293582
• Nikkaji Number: J410.176F
• Wikidata: Q82032414
• Mol file: 1129-78-8.mol

Synonyms:1-(3-bromopropoxy)-4-fluorobenzene;1129-78-8;NSC90824;Benzene, 1-(3-bromopropoxy)-4-fluoro-;NCIOpen2_006291;4-fluorophenoxypropyl bromide;SCHEMBL1427333;DTXSID10293582;VKNUENLPKPOOPS-UHFFFAOYSA-N;3-(4-Fluorophenoxy)propyl bromide;3-bromopropyl 4-fluorophenyl ether;1-bromo-3-(4-fluorophenoxy)propane;NSC-90824;AKOS000343485;AB90579;1-(3-bromo-propoxy)-4-fluoro-benzene;BB 0220199;CS-0233554;EN300-13444;Z90122147

Chemical Property of 1-(3-Bromopropoxy)-4-fluorobenzene

Chemical Property:

• Boiling Point: 282.7°Cat760mmHg
• Flash Point: 148.8°C
• PSA: 9.23000
• Density: 1.422g/cm³
• LogP: 2.98950
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 231.98991
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(3-Bromopropoxy)-4-fluorobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCCBr)F

Technology Process of 1-(3-Bromopropoxy)-4-fluorobenzene

There total 4 articles about 1-(3-Bromopropoxy)-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: 90.0%

4-Fluorophenol (371-41-5) + 1,3-dibromo-propane (109-64-8) → 1-(3-bromopropoxy)-4-fluorobenzene (1129-78-8)

Guidance literature:

With potassium carbonate; In acetonitrile; for 24h; Reflux; Inert atmosphere;

DOI:10.1039/d1cc02134f

Reference yield: 71.0%

sodium hydroxide (1310-73-2) + 4-Fluorophenol (371-41-5) + 1,3-dibromo-propane (109-64-8) → 1-(3-bromopropoxy)-4-fluorobenzene (1129-78-8)

Guidance literature:

With tetrabutylammomium bromide; In dichloromethane; water;

Reference yield: 43.0%

→ 1-(3-bromopropoxy)-4-fluorobenzene (1129-78-8)

Guidance literature:

upstream raw materials:

4-Fluorophenol

1,3-dibromo-propane

1-chloro-3-hydroxypropane

sodium hydroxide

Downstream raw materials:

5-[3-(4-fluorophenoxy)propoxy]-1,3-benzodioxole

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

C₂₄H₂₇FN₂O₃

8-bromo-5-(3-(4-fluorophenoxy)propyl)-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、 -. "Preparation method of cisapride key intermediate". Paragraph 0026; 0029; 0032; 0035; 0038; 0041; 0044; 0045. . Retrieved 2019/01/06.