(S)-2-((3-Chlorophenoxy)methyl)oxirane

Base Information

• Chemical Name: (S)-2-((3-Chlorophenoxy)methyl)oxirane
• CAS No.: 129098-53-9
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 2910900090
• DSSTox Substance ID: DTXSID60574757
• Nikkaji Number: J2.256.299A
• Wikidata: Q82463914
• Mol file: 129098-53-9.mol

Synonyms:(S)-2-((3-CHLOROPHENOXY)METHYL)OXIRANE;129098-53-9;(2S)-2-[(3-chlorophenoxy)methyl]oxirane;SCHEMBL6487223;DTXSID60574757;MFCD08752557;(S)-2-((3-Chloro-phenoxy)methyl)oxirane;(2S)-2-[(3-chloranylphenoxy)methyl]oxirane;A805903

Chemical Property of (S)-2-((3-Chlorophenoxy)methyl)oxirane

Chemical Property:

• PSA: 21.76000
• LogP: 2.11760
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-((3-CHLOROPHENOXY)METHYL)OXIRANE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)COC2=CC(=CC=C2)Cl
• Isomeric SMILES: C1[C@H](O1)COC2=CC(=CC=C2)Cl

Technology Process of (S)-2-((3-Chlorophenoxy)methyl)oxirane

There total 9 articles about (S)-2-((3-Chlorophenoxy)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: 85.0%

1-(allyloxy)-3-chlorobenzene (24824-86-0) → 1-(3-chlorophenoxy)-2,3,epoxypropane (2211-95-2,114144-44-4,129098-53-9,129098-54-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 18h;

DOI:10.1016/j.ejmech.2017.12.014

Reference yield: 80.0%

3-monochlorophenol (108-43-0) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-(3-chlorophenoxy)-2,3,epoxypropane (2211-95-2,114144-44-4,129098-53-9,129098-54-0)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide;

DOI:10.1039/c39870001226

Reference yield: 68.0%

3-monochlorophenol (108-43-0) + (S)-Glycidyl tosylate (70987-78-9,6746-81-2) → (S)-2-(3-chlorophenoxymethyl)oxirane (129098-53-9)

Guidance literature:

3-monochlorophenol; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.5h; Inert atmosphere;

(S)-Glycidyl tosylate; In N,N-dimethyl-formamide; at 20 ℃; for 15h; Inert atmosphere;

DOI:10.1021/acs.joc.6b01609

upstream raw materials:

3-monochlorophenol

epichlorohydrin

1-(allyloxy)-3-chlorobenzene

1-(3-chlorophenoxy)-2,3,epoxypropane

Downstream raw materials:

4-{2-[3-(3-Chloro-phenoxy)-2-hydroxy-propylamino]-ethoxy}-benzamide

1-azido-3-(3-chlorophenoxy)-2-propanol

(S)-2-(3-chloro-phenoxymethyl)-oxirane

1-chloro-3-(3-chloro-phenoxy)-propan-2-ol