1-(2-Methyl-3-nitrophenyl)ethanone

Base Information

• Chemical Name: 1-(2-Methyl-3-nitrophenyl)ethanone
• CAS No.: 75473-11-9
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.175
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80504995
• Wikidata: Q72493687
• Mol file: 75473-11-9.mol

Synonyms:1-(2-methyl-3-nitrophenyl)ethanone;75473-11-9;1-(2-methyl-3-nitrophenyl)ethan-1-one;2-Methyl-3-nitro-acetophenon;SCHEMBL2932050;DTXSID80504995;HPQVXLJSJCOYFE-UHFFFAOYSA-N;AMY17787;AKOS006288323;CS-0230848;FT-0690622;A22176;EN300-105836;Z1198181824

Chemical Property of 1-(2-Methyl-3-nitrophenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.022mmHg at 25°C
• Melting Point: 53-55°C
• Refractive Index: 1.552
• Boiling Point: 250.1 °C at 760 mmHg
• Flash Point: 102.8 °C
• PSA: 62.89000
• Density: 1.201 g/cm³
• LogP: 2.62900
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

1-(2-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=CC=C1[N+](=O)[O-])C(=O)C

Technology Process of 1-(2-Methyl-3-nitrophenyl)ethanone

There total 5 articles about 1-(2-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: 67.0%

ethyl 3-(2-methyl-3-nitrophenyl)-3-oxopropionate (136774-69-1) → 1-(2-methyl-3-nitro-phenyl)ethanone (75473-11-9)

Guidance literature:

In water; trifluoroacetic acid;

Reference yield: 41.0%

→ 1-(2-methyl-3-nitro-phenyl)ethanone (75473-11-9)

Guidance literature:

Reference yield:

2-bromo-6-nitrotoluene (55289-35-5) + tributyl(1-ethoxyvinyl)stannane (97674-02-7) → 1-(2-methyl-3-nitro-phenyl)ethanone (75473-11-9)

Guidance literature:

2-bromo-6-nitrotoluene; tributyl(1-ethoxyvinyl)stannane; With bis-triphenylphosphine-palladium(II) chloride; In 1,4-dioxane; at 100 ℃; for 1h;

With hydrogenchloride; In 1,4-dioxane; water; at 0 ℃; for 1h;

upstream raw materials:

diethyl 2-(2-methyl-3-nitrobenzoyl)malonate

2-methyl-3-nitrobenzoyl chloride

ethyl 3-(2-methyl-3-nitrophenyl)-3-oxopropionate

2-bromo-6-nitrotoluene

Downstream raw materials:

ω-Brom-2-methyl-3-nitro-acetophenon

3-(2-Methyl-3-nitro-phenyl)-3-oxo-propionitrile

(2-Amino-thiophen-3-yl)-(2-methyl-3-nitro-phenyl)-methanone

5-(2-Methoxy-phenyl)-1,3-dihydro-thieno[2,3-e][1,4]diazepin-2-one