2-(3-Chloropropyl)-2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxane

Base Information

• Chemical Name: 2-(3-Chloropropyl)-2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxane
• CAS No.: 36714-65-5
• Molecular Formula: C15H20ClFO2
• Molecular Weight: 286.774
• DSSTox Substance ID: DTXSID50503036
• Wikidata: Q82356530
• Mol file: 36714-65-5.mol

Synonyms:36714-65-5;2-(3-Chloropropyl)-2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxane;SCHEMBL3395753;DTXSID50503036

Chemical Property of 2-(3-Chloropropyl)-2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxane

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 286.1135857
• Heavy Atom Count: 19
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(OC1)(CCCCl)C2=CC=C(C=C2)F)C

Technology Process of 2-(3-Chloropropyl)-2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxane

There total 2 articles about 2-(3-Chloropropyl)-2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxane 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:

2,2-Dimethyl-1,3-propanediol (126-30-7) + 4-(4-fluorophenyl)-4-oxo-n-butyl chloride (3874-54-2,41167-07-1) → (chloro-3 propyl)-2 (fluoro-4 phenyl)-2 dimethyl-5,5 dioxanne-1,3 (36714-65-5)

Guidance literature:

With Amberlite 15; for 20h; Yield given; Heating;

Reference yield:

fluorobenzene (462-06-6) → (chloro-3 propyl)-2 (fluoro-4 phenyl)-2 dimethyl-5,5 dioxanne-1,3 (36714-65-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride / CH₂Cl₂ / 18 h / Ambient temperature

2: Amberlite 15 / 20 h / Heating

With aluminium trichloride; Amberlite 15; In dichloromethane;

Reference yield: 91.0%

potassium phtalimide (1074-82-4) + (chloro-3 propyl)-2 (fluoro-4 phenyl)-2 dimethyl-5,5 dioxanne-1,3 (36714-65-5) → N-<3-<2-(p-Fluorophenyl)-5,5-dimethyl-m-dioxan-2-yl>propyl>phthalimide (73330-77-5)

Guidance literature:

In N,N-dimethyl-formamide; at 90 ℃; for 5h;

DOI:10.1021/je60085a001

upstream raw materials:

2,2-Dimethyl-1,3-propanediol

4-(4-fluorophenyl)-4-oxo-n-butyl chloride

fluorobenzene

Downstream raw materials:

1-(4-fluorophenyl)-4-<3-(2-methyl-2-propyl)phenoxy>-1-butanone 2,2-dimethylpropylene ketal

{3-[2-(4-Fluoro-phenyl)-5,5-dimethyl-[1,3]dioxan-2-yl]-propyl}-(7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-ylmethyl)-amine

{3-[2-(4-Fluoro-phenyl)-5,5-dimethyl-[1,3]dioxan-2-yl]-propyl}-((1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-ylmethyl)-amine

N-<3-<2-(p-Fluorophenyl)-5,5-dimethyl-m-dioxan-2-yl>propyl>phthalimide