1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone

Base Information

• Chemical Name: 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone
• CAS No.: 288401-07-0
• Molecular Formula: C9H8 Cl N O4
• Molecular Weight: 229.62
• European Community (EC) Number: 672-547-9
• DSSTox Substance ID: DTXSID00373968
• Wikidata: Q82162398
• Mol file: 288401-07-0.mol

Synonyms:288401-07-0;1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone;5'-Chloro-2'-hydroxy-4'-methyl-3'-nitro-acetophenone;5'-chloro-2'-hydroxy-4'-methyl-3'-nitroacetophenone;SCHEMBL2013692;DTXSID00373968;UQVHWGGRXQWGGY-UHFFFAOYSA-N;MFCD03424514;AKOS024388206;J-017289;1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethan-1-one

Chemical Property of 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone

Chemical Property:

• PSA: 83.12000
• LogP: 2.98800
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 229.0141854
• Heavy Atom Count: 15
• Complexity: 278

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)C)Cl

Technology Process of 1-(5-Chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone

There total 2 articles about 1-(5-Chloro-2-hydroxy-4-methyl-3-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: 62.0%

5'-chloro-2'-hydroxy-4'-methyl acetophenone (28480-70-8) → 1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethan-1-one (288401-07-0)

Guidance literature:

With sulfuric acid; sodium nitrite; at 0 ℃; for 0.5h;

Reference yield:

1-(5-chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone (685892-19-7) → 1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethan-1-one (288401-07-0)

Guidance literature:

1-(5-chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone; With boron tribromide; In dichloromethane; at -78 - 0 ℃;

With water; In dichloromethane; at 0 ℃;

Reference yield: 100.0%

trifluoromethylsulfonic anhydride (358-23-6) + 1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethan-1-one (288401-07-0) → 6-acetyl-4-chloro-3-methyl-2-nitrophenyl trifluoromethanesulfonate (1312687-48-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; dichloromethane; at -78 - 20 ℃; for 0.5h;

upstream raw materials:

1-(5-chloro-2-methoxy-4-methyl-3-nitrophenyl)ethanone

5'-chloro-2'-hydroxy-4'-methyl acetophenone

Downstream raw materials:

6-acetyl-4-chloro-3-methyl-2-nitrophenyl trifluoromethanesulfonate

N-[1-(4-chloro-3'-fluoro-5-methyl-6-nitrobiphenyl-2-yl)ethyl]-9H-purin-6-amine

1-{4-Chloro-3'-fluoro-3-methyl-6-[1-(9H-purin-6-ylamino)ethyl]biphenyl-2-yl}pyrrolidin-2-one

3-{4-Chloro-3'-fluoro-3-methyl-6-[1-(9H-purin-6-ylamino)ethyl]biphenyl-2-yl}-1,3-oxazolidin-2-one