6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one

Base Information

• Chemical Name: 6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one
• CAS No.: 32263-70-0
• Molecular Formula: C17H16O2
• Molecular Weight: 252.313
• Hs Code.: 2914509090
• European Community (EC) Number: 889-181-2
• DSSTox Substance ID: DTXSID40443477
• Wikidata: Q82261331
• Pharos Ligand ID: S9BL59TB5W93
• ChEMBL ID: CHEMBL3288291
• Mol file: 32263-70-0.mol

Synonyms:6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one;32263-70-0;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;6-Benzyloxy-1-tetralone;CHEMBL3288291;MFCD12024333;1(2H)-Naphthalenone, 3,4-dihydro-6-(phenylmethoxy)-;6-Benzyloxy-3,4-dihydro-2H-naphthalen-1-one;SCHEMBL226640;3,4-dihydro-6-(phenylmethoxy)-1(2H)-naphthalenone;DTXSID40443477;SAYPPJQQGVXKAP-UHFFFAOYSA-N;CS-B1524;BDBM50017423;CX1256;ZB1840;AKOS011105275;DS-7083;SY117424;6-benzyloxy-3,4-dihydronaphthalen-1(2H)-one;6-(benzyloxy)-3,4-dihydronaphtalen-1(2H)-one;6-(benzyloxy)-3,4-dihydronaphthalene-1(2H)-one;A918174;J-518042

Chemical Property of 6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one

Chemical Property:

• PSA: 26.30000
• LogP: 3.78460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

6-(Benzyloxy)-3,4-dihydronaphthalen-1(2H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)C1

Technology Process of 6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one

There total 5 articles about 6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one 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%

6-Hydroxy-1-tetralone (3470-50-6) + benzyl bromide (100-39-0) → 6-benzyloxy-3,4-dihydro-2H-naphthalen-1-one (32263-70-0)

Guidance literature:

With potassium carbonate; In acetone; for 6h; Reflux;

DOI:10.1016/j.bmcl.2014.04.021

Reference yield: 78.0%

6-Hydroxy-1-tetralone (3470-50-6) + benzyl chloride (100-44-7) → 6-benzyloxy-3,4-dihydro-2H-naphthalen-1-one (32263-70-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 - 100 ℃; for 4h;

DOI:10.1139/v88-088

Reference yield:

6-methoxy-3,4-dihydro-1(2H)-naphthalenone (1078-19-9) → 6-benzyloxy-3,4-dihydro-2H-naphthalen-1-one (32263-70-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / aq. HBr

2: K₂CO₃ / dimethylformamide

With hydrogen bromide; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2003.10.003

upstream raw materials:

6-Hydroxy-1-tetralone

benzyl chloride

benzyl bromide

6-methoxy-3,4-dihydro-1(2H)-naphthalenone

Downstream raw materials:

butyl 4-benzyloxy-2-(2-cyanoethyl)benzoate

6-Benzyloxy-3,4-dihydro-[1,2]naphthoquinone 2-oxime

6-Benzyloxy-3,4-dihydro-[1,2]naphthoquinone 2-oxime

6-benzyloxy-3,4-dihydro-1,2-naphthalenedione 2-oxime