2-(Chloromethoxy)-1,3-diisopropylbenzene

Base Information

• Chemical Name: 2-(Chloromethoxy)-1,3-diisopropylbenzene
• CAS No.: 258516-82-4
• Molecular Formula: C13H19ClO
• Molecular Weight: 226.746
• European Community (EC) Number: 607-817-7
• DSSTox Substance ID: DTXSID30460193
• Wikidata: Q72453122
• Mol file: 258516-82-4.mol

Synonyms:258516-82-4;2-(chloromethoxy)-1,3-diisopropylbenzene;2-Chloromethoxy-1,3-diisopropyl-benzene;2-(Chloromethoxy)-1,3-di(propan-2-yl)benzene;2-(Chloromethoxy)-1,3-diisopropyl-benzene;SCHEMBL4077369;DTXSID30460193;XYMTUFXXCMZHCU-UHFFFAOYSA-N;MFCD09833643;O-chloromethyl 2,6-diisopropylphenol;O-chloromethyl-2,6-diisopropylphenol;AKOS015951088;O-chloromethyl 2,6-diisopropyl phenol;2-Chloromethoxy-1,3-Diisopropylbenzene;chloromethyl(2,6-diisopropylphenyl)ether;SY298452;2-(chloromethoxy)-1, 3-di(propan-2-yl)benzene;J-506279

Chemical Property of 2-(Chloromethoxy)-1,3-diisopropylbenzene

Chemical Property:

• Vapor Pressure: 0.00198mmHg at 25°C
• Boiling Point: 300.6±42.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.007
• LogP: 4.50850
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 226.1124429
• Heavy Atom Count: 15
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

2-CHLOROMETHOXY-1,3-DIISOPROPYL-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)OCCl

Technology Process of 2-(Chloromethoxy)-1,3-diisopropylbenzene

There total 4 articles about 2-(Chloromethoxy)-1,3-diisopropylbenzene 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: 93.0%

chlorobromomethane (74-97-5) + 2,6-diisopropylphenol (2078-54-8) → 2-(chloromethoxy)-1,3-diisopropylbenzene (258516-82-4)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 64 ℃; for 2h;

DOI:10.1016/j.ejps.2008.02.121

Reference yield:

2,6-diisopropyl anisole (2944-52-7) → 2-(chloromethoxy)-1,3-diisopropylbenzene (258516-82-4)

Guidance literature:

With phosphorus pentachloride; In N,N-dimethyl-formamide; at 70 ℃; Solvent; Reagent/catalyst; Temperature;

Reference yield:

2,6-diisopropylphenol (2078-54-8) → 2-(chloromethoxy)-1,3-diisopropylbenzene (258516-82-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 0 - 20 °C

2: phosphorus pentachloride / N,N-dimethyl-formamide / 70 °C

With phosphorus pentachloride; potassium carbonate; In N,N-dimethyl-formamide;

upstream raw materials:

chlorobromomethane

2,6-diisopropylphenol

Chloroiodomethane

2,6-diisopropyl anisole

Downstream raw materials:

fospropofol

Refernces

• 1、 -. "Phosphoric acid derivative as well as preparation method and application thereof". Paragraph 0169; 0174; 0187-0191. . Retrieved 2019/02/19.
• 2、 Yang, Jun,Yin, Wang,Liu, Jin,Wang, Yu,Zhou, Cheng,Kang, Yi,Zhang, Wen-Sheng. "Synthesis and characterization of novel quick-release propofol prodrug via lactonization". . p. 1813 - 1816. Retrieved 2013/04/10.