Methyl 2-(4-nitrophenyl)propanoate

Base Information

• Chemical Name: Methyl 2-(4-nitrophenyl)propanoate
• CAS No.: 50415-69-5
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 2916399090
• European Community (EC) Number: 256-584-4
• DSSTox Substance ID: DTXSID20964675
• Nikkaji Number: J359.992B
• Mol file: 50415-69-5.mol

Synonyms:methyl 2-(4-nitrophenyl)propanoate;50415-69-5;Methyl 2-(4-nitrophenyl)propionate;EINECS 256-584-4;SCHEMBL427393;DTXSID20964675;methyl2-(4-nitrophenyl)propionate;NWHFCRJVWNLNHP-UHFFFAOYSA-N;MFCD03305811;AKOS005071408;CS-0112692;FT-0680677;8T-0081;Benzeneacetic acid,a-methyl-4-nitro-,methyl ester;alpha-Methyl-4-nitrobenzeneacetic acid methyl ester;J-521851

Chemical Property of Methyl 2-(4-nitrophenyl)propanoate

Chemical Property:

• Vapor Pressure: 0.00081mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 305.7 °C at 760 mmHg
• Flash Point: 132.8 °C
• PSA: 72.12000
• Density: 1.22 g/cm³
• LogP: 2.39450
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl2-(4-Nitrophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(4-nitrophenyl)propanoate

There total 17 articles about Methyl 2-(4-nitrophenyl)propanoate 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: 100.0%

methanol (67-56-1) + 2-(4-nitrophenyl)propanoic acid (19910-33-9) → methyl 2-(4-nitrobenzene)propionate (50415-69-5)

Guidance literature:

With sulfuric acid; at 20 ℃;

DOI:10.1016/j.ejmech.2015.12.036

Reference yield: 94.0%

methyl (4-nitrophenyl)acetate (2945-08-6) → methyl 2-(4-nitrobenzene)propionate (50415-69-5)

Guidance literature:

methyl (4-nitrophenyl)acetate; With sodium hydride; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

With methyl iodide; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/c7gc02261a

Reference yield: 73.0%

propanoic acid methyl ester (554-12-1) + para-nitrophenyl bromide (586-78-7) → methyl 2-(4-nitrobenzene)propionate (50415-69-5)

Guidance literature:

propanoic acid methyl ester; With sodium hexamethyldisilazane; In toluene; at -60 ℃; for 1.5h; Inert atmosphere; Sealed tube;

With zinc(II) chloride; In tetrahydrofuran; toluene; at -35 ℃; for 1h; Inert atmosphere; Sealed tube;

para-nitrophenyl bromide; With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; toluene; at -15 - 20 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1021/jo401476f

upstream raw materials:

methanol

2-(4-nitrophenyl)propanoic acid

para-dinitrobenzene

(E)-(1-methoxyprop-1-enyloxy)trimethylsilane

Downstream raw materials:

2-(4-nitrophenyl)propanoic acid

methyl 2-(4-aminophenyl)propanoate

2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoic acid

methyl 2-[4-(benzoylamino)phenyl]propanoate