2-[2-(Benzyloxy)ethyl]oxirane

Base Information

• Chemical Name: 2-[2-(Benzyloxy)ethyl]oxirane
• CAS No.: 94426-72-9
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2910900090
• DSSTox Substance ID: DTXSID20447190
• Nikkaji Number: J495.258H
• ChEMBL ID: CHEMBL1482506
• Mol file: 94426-72-9.mol

Synonyms:2-[2-(Benzyloxy)ethyl]oxirane;94426-72-9;2-(2-phenylmethoxyethyl)oxirane;Oxirane, [2-(phenylmethoxy)ethyl]-;2-(2-(benzyloxy)ethyl)oxirane;MFCD27934088;MLS001075819;SCHEMBL2186409;CHEMBL1482506;DTXSID20447190;WEEINLJFNLBGTR-UHFFFAOYSA-N;MFCD00153925;(R)-2-[2-(Benzyloxy)ethyl]oxirane;AKOS027257081;CS-11726;SMR000639330;SY028858;SY263579;CS-0112897;FT-0717628;EN300-322262;A917238;SR-01000781929;SR-01000781929-2;Z1861993933

Chemical Property of 2-[2-(Benzyloxy)ethyl]oxirane

Chemical Property:

• PSA: 21.76000
• LogP: 1.99210
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-[2-(Benzyloxy)ethyl]oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)CCOCC2=CC=CC=C2

Technology Process of 2-[2-(Benzyloxy)ethyl]oxirane

There total 14 articles about 2-[2-(Benzyloxy)ethyl]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: 97.0%

4-benzyloxybut-1-ene (70388-33-9) → 2-(2-(benzyloxy)ethyl)oxirane (94426-72-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.08.065

Reference yield: 82.0%

3,4-epoxy-1-butanol (19098-31-8) + benzyl bromide (100-39-0) → 2-(2-(benzyloxy)ethyl)oxirane (94426-72-9)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; sodium hydride; In tetrahydrofuran; at 0 - 25 ℃; for 18h; Inert atmosphere;

Reference yield: 57.0%

(+/-)-4-benzyloxy-butane-1,2-diol (71998-69-1) → 2-(2-(benzyloxy)ethyl)oxirane (94426-72-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

upstream raw materials:

homoalylic alcohol

4-benzyloxybut-1-ene

(+/-)-4-benzyloxy-butane-1,2-diol

benzyl bromide

Downstream raw materials:

(+/-)-5-(benzyloxy)-3-(trimethylsiloxy)pentanenitrile

1-<4-(benzyloxy)-2-hydroxybutyl>thymine

1-(benzyloxy)hex-5-yn-3-ol

(R)-4-Benzyloxy-1-(4-methoxy-phenoxy)-butan-2-ol

Refernces

• 1、 -. "IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST". Paragraph 0845-0846. . Retrieved 2020/08/22.
• 2、 Yokoi, Taiki,Tanimoto, Hiroki,Ueda, Tomomi,Morimoto, Tsumoru,Kakiuchi, Kiyomi. "Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds". . p. 12103 - 12121. Retrieved 2018/10/09.