2-(4-NITROPHENYL)PROPIONIC ACID

Base Information

• Chemical Name: 2-(4-NITROPHENYL)PROPIONIC ACID
• CAS No.: 19910-33-9
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 2916399090
• European Community (EC) Number: 243-423-8
• DSSTox Substance ID: DTXSID30941790
• Nikkaji Number: J149.581J,J66.168F,J66.169D
• Mol file: 19910-33-9.mol

Synonyms:Hydratropicacid, p-nitro- (6CI,7CI,8CI);(α)-2-(4-Nitrophenyl)propionic acid;2-(4-Nitrophenyl)propanoic acid;2-(4-Nitrophenyl)propionic acid;2-(p-Nitrophenyl)propionic acid;α-Methyl-4-nitrobenzeneacetic acid;

Chemical Property of 2-(4-NITROPHENYL)PROPIONIC ACID

Chemical Property:

• Vapor Pressure: 7.16E-06mmHg at 25°C
• Melting Point: 88-89 °C
• Refractive Index: 1.579
• Boiling Point: 361.9 °C at 760 mmHg
• PKA: 3.91±0.10(Predicted)
• Flash Point: 160.5 °C
• PSA: 83.12000
• Density: 1.337 g/cm³
• LogP: 2.30610
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Ethanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

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

2-(4-Nitrophenyl)propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O
• Uses: 2-(4-Nitrophenyl)propionic acid is a reagent used in the preparation of α-Methylated analogs of triiodothyroalkanoic acids which have interactions with hepatic thyroid receptors. 2-(4-Nitrophenyl)propionic acid may be used in chemical synthesis.

Technology Process of 2-(4-NITROPHENYL)PROPIONIC ACID

There total 19 articles about 2-(4-NITROPHENYL)PROPIONIC 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: 99.0%

2-(4-nitrophenyl)-propionitrile (50712-63-5) → 2-(4-nitrophenyl)propanoic acid (19910-33-9)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 14h; Product distribution / selectivity; Heating / reflux;

Reference yield: 84.19%

→ 2-(4-nitrophenyl)propanoic acid (19910-33-9)

Guidance literature:

Reference yield: 78.8%

ethyl 2-(4-nitrophenyl)propionate (50712-64-6) → 2-(4-nitrophenyl)propanoic acid (19910-33-9)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 20 ℃; for 2h;

upstream raw materials:

hydratropic acid

2-(4-nitrophenyl)-propionitrile

α-diazo-p-nitropropiophenone

benzyl alcohol

Downstream raw materials:

2-(4-aminophenyl)propionic acid

(S)-(+)-2-(4'-nitrophenyl)propanoic acid

(R)-α-methyl-4-nitrophenylacetic acid

methyl 2-(4-nitrobenzene)propionate

Refernces

• 1、 -. "Preparation method of alminoprofen intermediate". Paragraph 0048-0051; 0055-0058. . Retrieved 2021/07/21.
• 2、 Shang, Rui,Huang, Zheng,Chu, Ling,Fu, Yao,Liu, Lei. "Palladium-catalyzed decarboxylative coupling of potassium nitrophenyl acetates with aryl halides". supporting information; experimental part. p. 4240 - 4243. Retrieved 2011/10/09.