2-[(2,6-Dichlorophenoxy)methyl]oxirane

Base Information

• Chemical Name: 2-[(2,6-Dichlorophenoxy)methyl]oxirane
• CAS No.: 3556-00-1
• Molecular Formula: C9H8 Cl2 O2
• Molecular Weight: 219.06
• Hs Code.: 2910900090
• DSSTox Substance ID: DTXSID10395313
• Mol file: 3556-00-1.mol

Synonyms:2-[(2,6-dichlorophenoxy)methyl]oxirane;3556-00-1;2-((2,6-dichlorophenoxy)methyl)oxirane;2-(2,6-dichlorophenoxymethyl)oxirane;SCHEMBL2335060;DTXSID10395313;AKOS000118570;AKOS017278429;BP-10819;BS-28473;CS-0307893;EN300-09946;Z104494464

Chemical Property of 2-[(2,6-Dichlorophenoxy)methyl]oxirane

Chemical Property:

• Vapor Pressure: 0.00174mmHg at 25°C
• Boiling Point: 302.8°Cat760mmHg
• Flash Point: 122.9°C
• PSA: 21.76000
• Density: 1.389g/cm³
• LogP: 2.77100
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.9901349
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

2-((2,6-Dichlorophenoxy)methyl)oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)COC2=C(C=CC=C2Cl)Cl

Technology Process of 2-[(2,6-Dichlorophenoxy)methyl]oxirane

There total 3 articles about 2-[(2,6-Dichlorophenoxy)methyl]oxirane 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: 76.0%

2,6-Dichlorophenol (87-65-0) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-chloro-3-(2,6-dichlorophenoxy)propan-2-ol + 1,2-epoxy-3-(2,6-dichlorophenyl)propane (3556-00-1)

Guidance literature:

With sodium hydroxide; In water; for 8h; Heating;

DOI:10.1016/j.tet.2006.08.067

Reference yield: 65.0%

2,6-Dichlorophenol (87-65-0) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1,2-epoxy-3-(2,6-dichlorophenyl)propane (3556-00-1)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; potassium carbonate; at 110 ℃; for 0.2h; microwave irradiation;

DOI:10.1016/j.tet.2006.08.067

Reference yield:

→ 1,2-epoxy-3-(2,6-dichlorophenyl)propane (3556-00-1)

Guidance literature:

upstream raw materials:

2,6-Dichlorophenol

epichlorohydrin

Downstream raw materials:

1-(2,6-Dichloro-phenoxy)-3-nitrooxy-propan-2-ol

Refernces

• 1、 -. "Substituted diaryl compound and preparation method and application thereof". Paragraph 0073-0075. . Retrieved 2021/09/15.
• 2、 Pchelka, Beata Krystyna,Loupy, Andre,Plenkiewicz, Jan,Petit, Alain,Blanco, Luis. "Resolution of racemic 3-aryloxy-1-nitrooxypropan-2-ols by lipase-catalyzed enantioselective acetylation". . p. 2109 - 2119. Retrieved 2007/10/03.