3-Amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-Amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
• CAS No.: 129042-81-5
• Molecular Formula: C10H13NO4
• Molecular Weight: 211.21
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID10477481
• Mol file: 129042-81-5.mol

Synonyms:129042-81-5;3-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid;3-(3-hydroxy-4-methoxyphenyl)-dl-beta-alanine;3-Amino-3-(3-hydroxy-4-methoxy-phenyl)-propionic acid;MFCD03002476;3-Amino-3-(3-hydroxy-4-methoxyphenyl)-propanoic acid;(r)-3-(3-hydroxy-4-methoxyphenyl)-beta-alanine;dl-beta-(3-hydroxy-4-methoxyphenyl)alanine;(2R)-3-amino-2-(3-hydroxy-4-methoxyphenyl)propanoic acid;(R)-3-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid;3-Amino-3-(3-hydroxy-4-methoxy-phenyl)-propionicacid;SCHEMBL10381531;DTXSID10477481;AKOS005747179;DL- -(3-Hydroxy-4-methoxyphenyl)alanine;VS-09454;CS-0199993;FT-0630179;FT-0630227;EN300-186700;3-amino-3-(3-hydroxy-4-methoxyphenyl)propanoicacid;J-502197;Q-102262

Chemical Property of 3-Amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 7.12E-08mmHg at 25°C
• Refractive Index: 1.59
• Boiling Point: 421.963 °C at 760 mmHg
• Flash Point: 208.996 °C
• PSA: 92.78000
• Density: 1.318 g/cm³
• LogP: 1.57560
• Storage Temp.: 2-8°C
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 211.08445790
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-2-(3-hydroxy-4-methoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(CC(=O)O)N)O

Technology Process of 3-Amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid

There total 2 articles about 3-Amino-3-(3-hydroxy-4-methoxyphenyl)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: 74.0%

isovanillin (621-59-0) + malonic acid (141-82-2) → 3-amino-3-(3-hydroxy-4-methoxyphenyl)propionic acid (129042-81-5,925221-88-1)

Guidance literature:

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

DOI:10.1021/ja00344a071

Reference yield:

isovanillin (621-59-0) → N-(4-Cyanophenyl)-N-[3-(3-(3-hydroxy-4-methoxyphenyl) propionic acid)]urea + 3-amino-3-(3-hydroxy-4-methoxyphenyl)propionic acid (129042-81-5,925221-88-1)

Guidance literature:

With ammonium acetate; malonic acid; In ethanol; water;

Reference yield:

3-amino-3-(3-hydroxy-4-methoxyphenyl)propionic acid (129042-81-5,925221-88-1) → 3-tert-Butoxycarbonylamino-3-(3-hydroxy-4-methoxy-phenyl)-propionic acid methyl ester (84877-99-6)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / 0 °C

2: dioxane; H₂O / 25 °C

With hydrogenchloride; In 1,4-dioxane; water;

DOI:10.1021/ja00344a071

upstream raw materials:

isovanillin

malonic acid

Downstream raw materials:

3-tert-Butoxycarbonylamino-3-(3-hydroxy-4-methoxy-phenyl)-propionic acid methyl ester

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