1-(4-(Benzyloxy)-5-methoxy-2-nitrophenyl)ethanone

Base Information

• Chemical Name: 1-(4-(Benzyloxy)-5-methoxy-2-nitrophenyl)ethanone
• CAS No.: 75665-88-2
• Molecular Formula: C16H15NO5
• Molecular Weight: 301.299
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10705115
• Nikkaji Number: J498.628H
• Wikidata: Q82637823
• Mol file: 75665-88-2.mol

Synonyms:1-(4-(benzyloxy)-5-methoxy-2-nitrophenyl)ethanone;75665-88-2;1-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)ethanone;1-(4-benzyloxy-5-methoxy-2-nitrophenyl)ethanone;1-(4-(benzyloxy)-5-methoxy-2-nitrophenyl)ethan-1-one;1-[4-(Benzyloxy)-5-methoxy-2-nitrophenyl]ethan-1-one;6-Nitro-O-benzylacetovanillone;SCHEMBL340310;DTXSID10705115;Ethanone, 1-[5-methoxy-2-nitro-4-(phenylmethoxy)phenyl]-;TYWOWCDENNDOES-UHFFFAOYSA-N;FT-0698936;F74778;2'-Nitro-4'-(benzyloxy)-5'-methoxyacetophenone;1-(4-Benzyloxy-5-methoxy-2-nitro-phenyl)-ethanone

Chemical Property of 1-(4-(Benzyloxy)-5-methoxy-2-nitrophenyl)ethanone

Chemical Property:

• Boiling Point: 488.1±40.0 °C(Predicted)
• PSA: 81.35000
• Density: 1.247±0.06 g/cm3(Predicted)
• LogP: 3.90820
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 301.09502258
• Heavy Atom Count: 22
• Complexity: 389

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-(benzyloxy)-5-methoxy-2-nitrophenyl)ethanone 95%-98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)OC

Technology Process of 1-(4-(Benzyloxy)-5-methoxy-2-nitrophenyl)ethanone

There total 5 articles about 1-(4-(Benzyloxy)-5-methoxy-2-nitrophenyl)ethanone 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: 75.0%

4-benzyloxy-3-methoxyacetophenone (1835-11-6) → 1-(4-(benzyloxy)-5-methoxy-2-nitrophenyl)ethanone (75665-88-2)

Guidance literature:

With nitric acid; acetic acid; at 0 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jacs.8b13506

Reference yield:

1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) → 1-(4-(benzyloxy)-5-methoxy-2-nitrophenyl)ethanone (75665-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / potassium carbonate; potassium iodide / acetonitrile / 24 h / Heating

2: 67 percent / HNO₃ / acetic acid / 24 h / 20 °C

With nitric acid; potassium carbonate; potassium iodide; In acetic acid; acetonitrile;

DOI:10.1016/S0968-0896(01)00323-6

Reference yield:

benzyl bromide (100-39-0) → 1-(4-(benzyloxy)-5-methoxy-2-nitrophenyl)ethanone (75665-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide

2: nitric acid; acetic acid

With nitric acid; potassium carbonate; acetic acid; In N,N-dimethyl-formamide;

DOI:10.1021/ja108258d

upstream raw materials:

4-benzyloxy-3-methoxyacetophenone

benzyl bromide

1-(3-methoxy-4-hydroxyphenyl)ethanone

Downstream raw materials:

1-(2-amino-4-(benzyloxy)-5-methoxyphenyl)ethanone

2-methyl-2-(5-methoxy-2-nitro-4-propargyloxyphenyl)-1,3-dioxolane

2-(5-methoxy-2-nitro-4-propargyloxy-α-methylbenzyloxy)ethanol

C₆₅H₉₄N₂O₁₈