({[(Propan-2-yl)oxy]methoxy}methyl)benzene

Base Information

• Chemical Name: ({[(Propan-2-yl)oxy]methoxy}methyl)benzene
• CAS No.: 91968-51-3
• Molecular Formula: C₁₁H₁₆O₂
• Molecular Weight: 180.247
• DSSTox Substance ID: DTXSID90533574
• Wikidata: Q82406959
• Mol file: 91968-51-3.mol

Synonyms:91968-51-3;({[(Propan-2-yl)oxy]methoxy}methyl)benzene;SCHEMBL13641899;DTXSID90533574

Chemical Property of ({[(Propan-2-yl)oxy]methoxy}methyl)benzene

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 117

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OCOCC1=CC=CC=C1

Technology Process of ({[(Propan-2-yl)oxy]methoxy}methyl)benzene

There total 5 articles about ({[(Propan-2-yl)oxy]methoxy}methyl)benzene 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: 99.0%

diisopropoxymethane (2568-89-0) + benzyl alcohol (100-51-6,185532-71-2) → Isopropyloxymethyl-benzyl-aether (91968-51-3)

Guidance literature:

With toluene-4-sulfonic acid; Heating;

DOI:10.1081/SCC-200032419

Reference yield:

Benzyloxymethyl chloride (3587-60-8) → Isopropyloxymethyl-benzyl-aether (91968-51-3)

Guidance literature:

Multi-step reaction with 3 steps

2: 1) TsCl, Et₃N, DMAP, 2) LiBr / 2) MEK

3: chiral reducing agent derived from LiAlH₄ and (S)-2-(2,6-xylidinomethyl)pyrrolidine / tetrahydrofuran / 4 h / -20 °C

With dmap; chiral reducing agent derived from LiAlH₄ and (S)-2-(2,6-xylidinomethyl)pyrrolidine; triethylamine; p-toluenesulfonyl chloride; lithium bromide; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)91565-X

Reference yield:

2-[(benzyloxy)methoxy]propane-1,3-diol (135518-26-2) → Isopropyloxymethyl-benzyl-aether (91968-51-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) TsCl, Et₃N, DMAP, 2) LiBr / 2) MEK

2: chiral reducing agent derived from LiAlH₄ and (S)-2-(2,6-xylidinomethyl)pyrrolidine / tetrahydrofuran / 4 h / -20 °C

With dmap; chiral reducing agent derived from LiAlH₄ and (S)-2-(2,6-xylidinomethyl)pyrrolidine; triethylamine; p-toluenesulfonyl chloride; lithium bromide; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)91565-X

upstream raw materials:

(2-Bromo-1-bromomethyl-ethoxymethoxymethyl)-benzene

isopropoxymethyl chloride

benzyl alcohol

diisopropoxymethane