3-(4-Hydroxy-3-nitrophenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-Hydroxy-3-nitrophenyl)propanoic acid
• CAS No.: 38196-09-7
• Molecular Formula: C9H9 N O5
• Molecular Weight: 211.174
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID60378934
• Nikkaji Number: J1.824.697J
• Wikidata: Q82168535
• Mol file: 38196-09-7.mol

Synonyms:3-(4-hydroxy-3-nitrophenyl)propanoic acid;38196-09-7;3-(4-HYDROXY-3-NITRO-PHENYL)-PROPIONIC ACID;3-(4-Hydroxy-3-nitrophenyl)propanoicacid;3-(4-hydroxy-3-nitrophenyl)propionic acid;SCHEMBL3533309;DTXSID60378934;KPJMKEOLALLMDY-UHFFFAOYSA-N;MFCD00045947;3-Nitro-4-hydroxybenzenepropionic acid;AS-65744;2-AMINOPHENYL-BETA-D-GLUCURONICACID;CS-0097385;D75882;EN300-1827364

Chemical Property of 3-(4-Hydroxy-3-nitrophenyl)propanoic acid

Chemical Property:

• PSA: 103.35000
• LogP: 1.84080
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Hydroxy-3-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=C1CCC(=O)O)[N+](=O)[O-])O

Technology Process of 3-(4-Hydroxy-3-nitrophenyl)propanoic acid

There total 1 articles about 3-(4-Hydroxy-3-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: 48.0%

4-hydroxyphenylpropionic acid (501-97-3) → 3-(4-hydroxy-3-nitrophenyl)propionic acid (38196-09-7)

Guidance literature:

With nitric acid; In acetic acid; at 15 ℃; for 0.25h;

DOI:10.1002/anie.201307386

Reference yield: 94.0%

3-(4-hydroxy-3-nitrophenyl)propionic acid (38196-09-7) → methyl 3-(4-hydroxy-3-nitrophenyl)propanoate

Guidance literature:

With thionyl chloride; In methanol; toluene;

Reference yield:

3-(4-hydroxy-3-nitrophenyl)propionic acid (38196-09-7) → 3-(3-amino-4-hydroxyphenyl)propanoic acid (90717-66-1)

Guidance literature:

With hydrogen; sodium hydrogencarbonate; palladium on activated charcoal;

upstream raw materials:

4-hydroxyphenylpropionic acid

Downstream raw materials:

3-(3-amino-4-hydroxyphenyl)propanoic acid

3-(4-Hydroxy-3-nitro-phenyl)-propionamide

3-(4-Hydroxy-3-nitro-phenyl)-N-isopropyl-propionamide

3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-3-nitro-phenyl]-propionamide