3-(2-Nitrophenyl)propanoic acid

Base Information

• Chemical Name: 3-(2-Nitrophenyl)propanoic acid
• CAS No.: 2001-32-3
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 2916399090
• European Community (EC) Number: 217-889-8
• NSC Number: 99344
• DSSTox Substance ID: DTXSID00173824
• Nikkaji Number: J62.857C
• Wikidata: Q72495721
• Mol file: 2001-32-3.mol

Synonyms:3-(2-nitrophenyl)propanoic acid;2001-32-3;3-(2-Nitrophenyl)propionic acid;benzenepropanoic acid, 2-nitro-;3-(2-NITRO-PHENYL)PROPIONIC ACID;EINECS 217-889-8;MFCD00130002;2-Nitrobenzenepropanoic acid;NSC99344;NCIOpen2_002207;Oprea1_619844;3-(2-nitrophenyl)propanoicacid;SCHEMBL1573514;AMY3889;DTXSID00173824;NSC 99344;NSC-99344;AKOS004905812;4M-336S;SY030747;CS-0059193;FT-0701391;EN300-56341;A879886;AE-641/00345038;F1900-1716;Z426022322

Chemical Property of 3-(2-Nitrophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 1.31E-05mmHg at 25°C
• Melting Point: 115 °C
• Refractive Index: 1.583
• Boiling Point: 353.5 °C at 760 mmHg
• PKA: 4.5(at 25℃)
• Flash Point: 156.4 °C
• PSA: 83.12000
• Density: 1.343 g/cm³
• LogP: 2.13520
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

98% ^*data from raw suppliers

3-(2-nitrophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Nitrophenyl)propanoic acid

There total 21 articles about 3-(2-Nitrophenyl)propanoic acid 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%

3-(2-nitrophenyl)propionitrile (114304-24-4) → 3-(2-nitrophenyl)propionic acid (2001-32-3)

Guidance literature:

With sulfuric acid; at 130 - 135 ℃; for 4.5h;

DOI:10.1016/S0968-0896(03)00426-7

Reference yield: 94.0%

(2-nitro-benzyl)-malonic acid diethyl ester (59803-35-9) → 3-(2-nitrophenyl)propionic acid (2001-32-3)

Guidance literature:

(2-nitro-benzyl)-malonic acid diethyl ester; With hydrogenchloride; acetic acid; In water; for 48h; Reflux;

With sodium hydroxide; In water;

Reference yield: 84.0%

dimethyl 2-(2-nitrobenzyl)-malonate (859197-37-8) → 3-(2-nitrophenyl)propionic acid (2001-32-3)

Guidance literature:

With hydrogenchloride; In water; at 165 ℃; for 16h; Reflux;

DOI:10.1039/d1cc01285a

upstream raw materials:

(2-bromoethyl)-2-nitrobenzene

potassium cyanide

(2-nitro-benzyl)-malonic acid

3-Phenylpropionic acid

Downstream raw materials:

2-(2-aminoethyl)nitrobenzene

α-bromo-β-(2-nitrophenyl)propionic acid

3-(2-nitrophenyl)propionic acid methyl ester

5'-(3-(2-nitrophenyl)propionyl)-2'-deoxy-5-fluorouridine

Refernces

• 1、 -. "N-transfer reagent and method for preparing the same and its application". Page/Page column 15-17. . Retrieved 2021/06/25.
• 2、 Zhang, Yujing,Sun, Shuai,Su, Yijin,Zhao, Jian,Li, Yong-Hong,Han, Bo,Shi, Feng. "Deconstructive di-functionalization of unstrained, benzo cyclic amines by C-N bond cleavage using a recyclable tungsten catalyst". supporting information. p. 4970 - 4974. Retrieved 2019/05/29.