1-(3-Chloropropoxy)-4-fluorobenzene

Base Information

• Chemical Name: 1-(3-Chloropropoxy)-4-fluorobenzene
• CAS No.: 1716-42-3
• Molecular Formula: C9H10ClFO
• Molecular Weight: 188.629
• Hs Code.: 29093090
• European Community (EC) Number: 217-000-3
• DSSTox Substance ID: DTXSID50169136
• Nikkaji Number: J203.109D
• Wikidata: Q72457979
• Mol file: 1716-42-3.mol

Synonyms:1-(3-Chloropropoxy)-4-fluorobenzene;1716-42-3;C9H10ClFO;3-(4-Fluorophenoxy)propyl Chloride;1-(3-chloro-propoxy)-4-fluorobenzene;Benzene, 1-(3-chloropropoxy)-4-fluoro-;EINECS 217-000-3;81936-77-8;1-chloro-3-(4-fluorophenoxy)-propane;MFCD00018986;1-(4-Fluorophenoxy)-3-chloropropane;SCHEMBL167606;DFFWYMMOMUTKOI-UHFFFAOYSA-;AMY3869;DTXSID50169136;3-(4-Fluorophenosy)propylchloride;1-(3-chloropropoxy)-4-fluorobezene;BBL013473;STL142574;1-chloro-3-(4-fluorophenoxy)propane;4-(3-chloropropoxy)-1-fluorobenzene;1-chloro-3-(p-fluorophenoxy)-propane;AKOS000121382;3-chloro-1-(4-fluorobenzenoxy)propane;CS-W015984;DS-16387;1-(3-Chloropropoxy)-4-fluorobenzene, 97%;C1969;FT-0613866;1-CHLORO-3-(4-FLUOROPHENOXY) PROPANE;EN300-16643;D77782;A811339;W-107871;Z56347250

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

Chemical Property:

• Appearance/Colour: clear yellowish to orange liquid
• Vapor Pressure: 0.0148mmHg at 25°C
• Refractive Index: 1.504-1.508
• Boiling Point: 265.7 °C at 760 mmHg
• Flash Point: 114.5 °C
• PSA: 9.23000
• Density: 1.164 g/cm³
• LogP: 2.83340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 188.0404208
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCCCl)F
• Uses: 1-(3-Chloropropoxy)-4-fluorobenzene was used as a reagent in the preparation of a library of hydantoin compds which has used to study Aurora kinase A inhibitory activity. It was also used as an alkylation agent in the preparation of tetracyclic quinoxaline butyrophenones as 5-HT2A and postsynaptic D2 antagonists and inhibitors of serotonin transporter for treatment of neuropsychiatric and neurological disorders.

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

There total 3 articles about 1-(3-Chloropropoxy)-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: 94.0%

→ 1-(3-chloropropoxy)-4-fluorobenzene (1716-42-3)

Guidance literature:

Reference yield: 89.0%

4-Fluorophenol (371-41-5) + 1.3-chlorobromopropane (109-70-6) → 1-(3-chloropropoxy)-4-fluorobenzene (1716-42-3)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1021/jm00121a022

Reference yield: 67.0%

4-Fluorophenol (371-41-5) + 1,3-Dichloropropane (142-28-9) → 1-(3-chloropropoxy)-4-fluorobenzene (1716-42-3)

Guidance literature:

4-Fluorophenol; 1,3-Dichloropropane; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 48h; Reflux;

In N,N-dimethyl-formamide; at 100 ℃; for 40h;

DOI:10.1002/anie.201503288

upstream raw materials:

4-Fluorophenol

1.3-chlorobromopropane

1,3-Dichloropropane

Downstream raw materials:

4-(4-fluorophenoxy)butyric acid

2-(2,4-Dichloro-phenyl)-5-(4-fluoro-phenoxy)-pentanenitrile

1-Fluoro-4-propoxy-benzene

N-[1-(3-(4-fluorophenoxy)propyl)-4-methyl-4-piperidinyl]acetamide

Refernces

• 1、 Iwasaki, Takanori,Min, Xin,Fukuoka, Asuka,Kuniyasu, Hitoshi,Kambe, Nobuaki. "Nickel-Catalyzed Dimerization and Alkylarylation of 1,3-Dienes with Alkyl Fluorides and Aryl Grignard Reagents". supporting information. p. 5550 - 5554. Retrieved 2016/05/09.
• 2、 -. "SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS". Page column 189. . Retrieved 2010/02/06.