N-(4-Methoxy-2-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(4-Methoxy-2-nitrophenyl)acetamide
• CAS No.: 119-81-3
• Molecular Formula: C9H10 N2 O4
• Molecular Weight: 210.189
• Hs Code.: 2924299090
• European Community (EC) Number: 204-353-3
• NSC Number: 5516
• UNII: F6Y2T3YQX2
• DSSTox Substance ID: DTXSID6059499
• Nikkaji Number: J154.700C
• Wikidata: Q72517180
• Mol file: 119-81-3.mol

Synonyms:119-81-3;N-(4-Methoxy-2-nitrophenyl)acetamide;4-Methoxy-2-nitroacetanilide;4'-Methoxy-2'-nitroacetanilide;2'-Nitro-p-acetanisidide;Acetamide, N-(4-methoxy-2-nitrophenyl)-;2-Nitro-p-acetanisidide;p-Acetanisidide, 2-nitro-;4-Acetamido-3-nitroanisole;p-Acetanisidide, 2'-nitro-;NSC 5516;2-nitro-4-methoxyacetanilide;AI3-09014;EINECS 204-353-3;BRN 2809678;F6Y2T3YQX2;N-(4-methoxy-2-nitro-phenyl)-acetamide;NSC-5516;3-13-00-01208 (Beilstein Handbook Reference);NSC5516;N-(4-methoxy-2-nitro-phenyl)acetamide;Maybridge1_006423;UNII-F6Y2T3YQX2;2/'-Nitro-p-acetanisidide;Cambridge id 5192884;p-Acetaniside, 2'-nitro-;Oprea1_698831;WLN: WNR CO1 FMV1;4-Methoxy-2-nitro acetanilide;SCHEMBL8784838;DTXSID6059499;HMS559L21;AMY25071;MFCD00017018;STL284712;AKOS003849907;AKOS015996800;CCG-248543;3-nitro-4-acetylamino-1-methoxybenzene;CS-0166412;FT-0629789;EN300-18080;1N-711;D95629;A804363;AF-966/00544054;W-108497;N-(4-methoxy-2-nitrophenyl)acetamide? (Omeprazole Impurity

Chemical Property of N-(4-Methoxy-2-nitrophenyl)acetamide

Chemical Property:

• Melting Point: 117-118°C
• Refractive Index: 1.5940 (estimate)
• Boiling Point: 433.8°Cat760mmHg
• PKA: 13.24±0.70(Predicted)
• Flash Point: 216.1°C
• PSA: 84.15000
• Density: 1.327g/cm³
• LogP: 2.15800
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

98%,99%, ^*data from raw suppliers

2''-Nitro-p-acetanisidide ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]
• Uses: Like Methacetin (M258770) derivative, N-(4-Methoxy-2-nitrophenyl)acetaMide can be used in the synthesis of a Thiabendazole Methacetin (M258770) derivative. Used in the synthesis of a Thiabendazole (T344150) metabolite.

Technology Process of N-(4-Methoxy-2-nitrophenyl)acetamide

There total 14 articles about N-(4-Methoxy-2-nitrophenyl)acetamide 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%

4-methoxyacetanilide (51-66-1) → 4-methoxy-2-nitroacetanilide (119-81-3) + p-benzoquinone (106-51-4)

Guidance literature:

With nitric acid; silica gel; In dichloromethane; for 0.166667h; Product distribution; Ambient temperature;

Reference yield: 95.0%

→ 4-methoxy-2-nitroacetanilide (119-81-3)

Guidance literature:

With chloro-trimethyl-silane; copper(ll) sulfate pentahydrate; guanidine nitrate; In acetonitrile; at 20 ℃;

Reference yield: 94.0%

4-methoxyacetanilide (51-66-1) → 4-methoxy-2-nitroacetanilide (119-81-3)

Guidance literature:

With 3-(ethoxycarbonyl)-1-(5-methyl-5-(nitrosooxy)hexyl)pyridin-1-ium bis(trifluoromethanesulfonyl)imide; at 20 ℃; for 6h; Ionic liquid;

DOI:10.1016/j.tetlet.2019.151529

upstream raw materials:

acetic anhydride

4-methoxy-aniline

acetic acid

4-methoxyacetanilide

Downstream raw materials:

acetic acid-(4-methoxy-N-methyl-2-nitro-anilide)

2,3-dinitrophenol

2,3-dinitroanisole

2.3-dinitro-hydroquinone-monomethyl ether

Refernces

• 1、 Blum, Stephan P.,Nickel, Christean,Sch?ffer, Lukas,Karakaya, Tarik,Waldvogel, Siegfried R.. "Electrochemical Nitration with Nitrite". . p. 4936 - 4940. Retrieved 2021/10/25.
• 2、 -. "Method for synthesizing 4-methoxy-2-nitroaniline by adopting continuous flow reactor". Paragraph 0038; 0040; 0044; 0047; 0049; 0053; 0056; 0058. . Retrieved 2020/10/05.