1-(Benzyloxy)pentan-2-OL

Base Information

• Chemical Name: 1-(Benzyloxy)pentan-2-OL
• CAS No.: 831-93-6
• Molecular Formula: C12H18O2
• Molecular Weight: 194.274
• DSSTox Substance ID: DTXSID40537764
• Nikkaji Number: J2.058.330D
• Mol file: 831-93-6.mol

Synonyms:831-93-6;1-(BENZYLOXY)PENTAN-2-OL;SCHEMBL10511102;DTXSID40537764;AKOS011321465

Chemical Property of 1-(Benzyloxy)pentan-2-OL

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Benzyloxy)pentan-2-OL

There total 5 articles about 1-(Benzyloxy)pentan-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: 87.0%

1,2-pentanediol (5343-92-0) + benzyl chloride (100-44-7) → 1-(benzyloxy)pentan-2-ol (831-93-6)

Guidance literature:

With iron(III) perchlorate; at 100 ℃; for 24h; neat (no solvent);

DOI:10.1007/s00706-008-0054-x

Reference yield: 46.0%

benzyl iodomethyl ether (17482-09-6) + butyraldehyde (123-72-8) → 1-(benzyloxy)pentan-2-ol (831-93-6)

Guidance literature:

With samarium diiodide; Tetraethylene glycol dimethyl ether; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(01)91015-9

Reference yield:

Benzyloxymethyl-oxiran (2930-05-4) + ethyl bromide (74-96-4) → 1-(benzyloxy)pentan-2-ol (831-93-6)

Guidance literature:

With iodine; magnesium; ethylene dibromide; Yield given. Multistep reaction; 1.) 2-methyltetrahydrofuran, 45 min, 2.) - 15 deg C, 15 min;

DOI:10.1080/00397919508011475

upstream raw materials:

Benzyloxymethyl chloride

butyraldehyde

Benzyloxy-methyl-magnesiumchlorid

benzyl iodomethyl ether

Downstream raw materials:

2-acetoxy-1-benzyloxypentan