3-Amino-3-(4-hydroxyphenyl)propanoate

Base Information

• Chemical Name: 3-Amino-3-(4-hydroxyphenyl)propanoate
• CAS No.: 6049-54-3
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 2922500090
• Mol file: 6049-54-3.mol

Synonyms:3-Amino-3-(4-hydroxyphenyl)propanoate;3-azaniumyl-3-(4-hydroxyphenyl)propanoate;CHEBI:57956;3-ammonio-3-(4-hydroxyphenyl)propanoate;3-amino-3-(4-hydroxyphenyl)propanoic acid zwitterion

Chemical Property of 3-Amino-3-(4-hydroxyphenyl)propanoate

Chemical Property:

• Vapor Pressure: 2.07E-06mmHg at 25°C
• Melting Point: 193-195 °C
• Refractive Index: 1.612
• Boiling Point: 378.7 °C at 760 mmHg
• Flash Point: 182.9 °C
• PSA: 83.55000
• Density: 1.329 g/cm³
• LogP: 1.56700
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly, Heated, Sonicated), Water (Slightly)
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

99%, ^*data from raw suppliers

β-Tyrosine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CC(=O)[O-])[NH3+])O
• Uses: 3-Amino-3-(4-hydroxyphenyl)propanoic Acid can be used for the preparing energy-?saving and environmentally friendly adhesive.

Technology Process of 3-Amino-3-(4-hydroxyphenyl)propanoate

There total 5 articles about 3-Amino-3-(4-hydroxyphenyl)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: 70.0%

malonic acid (141-82-2) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3-amino-3-(4-hydroxyphenyl)propionic acid (6049-54-3)

Guidance literature:

With ammonium acetate; In butan-1-ol; Reflux;

DOI:10.1016/j.ejmech.2018.07.005

Reference yield:

p-Coumaric Acid (7400-08-0,50940-26-6) → 3-amino-3-(4-hydroxyphenyl)propionic acid (6049-54-3)

Guidance literature:

With ethanol; hydroxylamine;

Reference yield:

methyl p-hydroxycinnamate (3943-97-3,19367-38-5,61240-27-5) → 3-amino-3-(4-hydroxyphenyl)propionic acid (6049-54-3)

Guidance literature:

With ethanol; hydroxylamine;

upstream raw materials:

p-Coumaric Acid

methyl p-hydroxycinnamate

3-amino-3-(4-methoxyphenyl)propionic acid

malonic acid

Downstream raw materials:

C₁₄H₁₉NO₅

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

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

4'-O,3-N-((2S)-methylbutyryl)ethyl ester

Refernces

• 1、 -. "Resolution synthesis method of 3-amino-3-(4-hydroxyphenyl)propionic acid". Paragraph 0009; 0010; 0011. . Retrieved 2018/03/28.