Ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate
• CAS No.: 183380-83-8
• Molecular Formula: C₁₁H₁₃NO₅
• Molecular Weight: 239.228
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID00378938
• Nikkaji Number: J767.311F
• Wikidata: Q82168540
• Mol file: 183380-83-8.mol

Synonyms:ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate;183380-83-8;ETHYL3-(4-HYDROXY-3-NITROPHENYL)PROPANOATE;SCHEMBL4643463;DTXSID00378938;MFCD00089149;PS-10416;CS-0449211;FT-0722828;3-Nitro-4-hydroxybenzenepropanoic acid ethyl ester;J-011741

Chemical Property of Ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate

Chemical Property:

• PSA: 92.35000
• LogP: 2.31930
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 239.07937252
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

95+% ^*data from raw suppliers

Ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC(=C(C=C1)O)[N+](=O)[O-]

Technology Process of Ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate

There total 1 articles about Ethyl 3-(4-hydroxy-3-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:

4-hydroxyphenylpropionic acid (501-97-3) → ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate (183380-83-8)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid / acetic acid / 1.5 h / 15 °C

2: sulfuric acid / 12 h / Reflux

With sulfuric acid; nitric acid; In acetic acid;

DOI:10.1016/j.ejmech.2016.10.010

Reference yield:

ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate (183380-83-8) → 3-(4-(methoxymethoxy)-3-nitrophenyl)propanoic acid

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / acetonitrile / 2 h / 0 °C

2: sodium hydroxide / ethanol / 2 h / 20 °C

With N-ethyl-N,N-diisopropylamine; sodium hydroxide; In ethanol; acetonitrile;

DOI:10.1016/j.ejmech.2016.10.010

Reference yield:

ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate (183380-83-8) → (R)-4-isopropyl-3-(3-(4-(methoxymethoxy)-3-nitrophenyl)propanoyl)oxazolidin-2-one

Guidance literature:

Multi-step reaction with 3 steps

1.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 2 h / 0 °C

2.1: sodium hydroxide / ethanol / 2 h / 20 °C

3.1: pivaloyl chloride; triethylamine / tetrahydrofuran / 1 h / -78 - 0 °C

3.2: 0.5 h / -78 - 20 °C

With pivaloyl chloride; triethylamine; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In tetrahydrofuran; ethanol; acetonitrile;

DOI:10.1016/j.ejmech.2016.10.010

upstream raw materials:

4-hydroxyphenylpropionic acid

Refernces