1-(Benzyloxy)-2-methylpropan-2-ol

Base Information

• Chemical Name: 1-(Benzyloxy)-2-methylpropan-2-ol
• CAS No.: 91968-72-8
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID50543851
• Nikkaji Number: J608.057J
• Wikidata: Q82420810
• Mol file: 91968-72-8.mol

Synonyms:1-(Benzyloxy)-2-methylpropan-2-ol;91968-72-8;2-methyl-1-phenylmethoxypropan-2-ol;2-Propanol, 2-methyl-1-(phenylmethoxy)-;SCHEMBL95926;DTXSID50543851;FNGALCZPIXXLGT-UHFFFAOYSA-N;MFCD22547988;AB84932;AT19586

Chemical Property of 1-(Benzyloxy)-2-methylpropan-2-ol

Chemical Property:

• PSA: 29.46000
• LogP: 1.97410
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

1-(Benzyloxy)-2-methylpropan-2-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(COCC1=CC=CC=C1)O

Technology Process of 1-(Benzyloxy)-2-methylpropan-2-ol

There total 6 articles about 1-(Benzyloxy)-2-methylpropan-2-ol 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%

2-methyl-1,2-epoxypropane (558-30-5) + benzyl alcohol (100-51-6,185532-71-2) → 1-(benzyloxy)-2-methyl-2-propanol (91968-72-8)

Guidance literature:

With sodium hydroxide; In water; toluene; at 100 ℃; for 30h;

Reference yield:

6,6-dimethyl-2,2,2,3-tetraphenyl-1,4-dioxa-2λ5-phosphorinane → 1-(benzyloxy)-2-methyl-2-propanol (91968-72-8) + 2-hydroxy-2-methylpropyl benzoate (95241-35-3)

Guidance literature:

With sodium hydroxide; In methanol; at 60 ℃; for 0.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

triphenyl(phenylmethylene)phosphorane (16721-45-2) → 1-(benzyloxy)-2-methyl-2-propanol (91968-72-8)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 0.02 h / -78 °C

2: 2 N NaOH / methanol / 0.5 h / 60 °C

With sodium hydroxide; In methanol; toluene;

upstream raw materials:

methyl magnesium iodide

ethyl benzyloxyacetate

3-benzyloxypropanone

dimethylmagnesium

Downstream raw materials:

3-((1-(benzyloxy)-2-methylpropan-2-yloxy)methyl)-1H-pyrazole