1-(4-Chloro-1,1-dimethoxybutyl)-4-fluorobenzene

Base Information

• Chemical Name: 1-(4-Chloro-1,1-dimethoxybutyl)-4-fluorobenzene
• CAS No.: 57390-39-3
• Molecular Formula: C12H16ClFO2
• Molecular Weight: 246.709
• European Community (EC) Number: 696-157-3
• UNII: NV849B4CNH
• DSSTox Substance ID: DTXSID90460952
• Wikidata: Q82285150
• Mol file: 57390-39-3.mol

Synonyms:57390-39-3;1-(4-CHLORO-1,1-DIMETHOXYBUTYL)-4-FLUOROBENZENE;1-(4-Fluorophenyl)-1,1-dimethoxy-4-chlorobutane;NV849B4CNH;Benzene, 1-(4-chloro-1,1-dimethoxybutyl)-4-fluoro-;SCHEMBL11623555;DTXSID90460952;STABNEURAMXABB-UHFFFAOYSA-N;AKOS027550528;FT-0664640;1,1-dimethoxy-1-(4-fluorophenyl)-4-chlorobutane

Chemical Property of 1-(4-Chloro-1,1-dimethoxybutyl)-4-fluorobenzene

Chemical Property:

• Vapor Pressure: 0.00289mmHg at 25°C
• Refractive Index: 1.484
• Boiling Point: 294.2°C at 760 mmHg
• Flash Point: 131.7°C
• PSA: 18.46000
• Density: 1.134g/cm³
• LogP: 3.29030
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 246.0822856
• Heavy Atom Count: 16
• Complexity: 190

Purity/Quality:

99.9% ^*data from raw suppliers

1-(4-Chloro-1,1-dimethoxybutyl)-4-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CCCCl)(C1=CC=C(C=C1)F)OC
• Uses: 1-(4-Chloro-1,1-dimethoxybutyl)-4-fluorobenzene (cas# 57390-39-3) is a compound useful in organic synthesis.

Technology Process of 1-(4-Chloro-1,1-dimethoxybutyl)-4-fluorobenzene

There total 2 articles about 1-(4-Chloro-1,1-dimethoxybutyl)-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:

→ 1,1-dimethoxy-1-(4-tolyl)-2-methyl-3-chloro-propane + γ-chloro-p-fluorobutyrophenone dimethyl ketal (57390-39-3)

Guidance literature:

Reference yield:

→ γ-chloro-p-fluorobutyrophenone dimethyl ketal (57390-39-3)

Guidance literature:

entspr. Keton, HC(OCH3)3;

Reference yield: 80.1%

acetone-toluene-methanol + 4-(4-chlorophenyl)-4-hydroxypiperidine (39512-49-7) + 1-Hydroxy-3-butanone (590-90-9) + γ-chloro-p-fluorobutyrophenone dimethyl ketal (57390-39-3) → haloperidol hydrochloride (1511-16-6)

Guidance literature:

With hydrogenchloride; potassium iodide; potassium hydrogencarbonate; In methanol; water; toluene;

Downstream raw materials:

1'-[4-(4-fluorophenyl)-4-oxobutyl]-2-methylspiro[2H-1,4-benzodioxepin-3(5H)4'-piperidine]oxalate

haloperidol hydrochloride

1-(4-fluoro-phenyl)-4-(hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-butan-1-one