3-Amino-3-(4-benzyloxy-3-methoxy-phenyl)-propionic acid

Base Information

• Chemical Name: 3-Amino-3-(4-benzyloxy-3-methoxy-phenyl)-propionic acid
• CAS No.: 167887-37-8
• Molecular Formula: C17H19 N O4
• Molecular Weight: 301.342
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID80411736
• Mol file: 167887-37-8.mol

Synonyms:167887-37-8;3-AMINO-3-(4-BENZYLOXY-3-METHOXY-PHENYL)-PROPIONIC ACID;3-amino-3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid;3-AMINO-3-[4-(BENZYLOXY)-3-METHOXYPHENYL]PROPANOIC ACID;Benzenepropanoic acid, beta-amino-3-methoxy-4-(phenylmethoxy)-;ZTBVHMNMNSGPKJ-UHFFFAOYSA-N;SCHEMBL2989926;DTXSID80411736;AKOS002674703;AKOS016045437;3-amino-3-(3-methoxy-4-benzyloxy-phenyl)propionic acid;3-amino-3-(4-benzyloxy-3-methoxyphenyl)propionic acid;3-amino-3-(4'-benzyloxy-3'-methoxyphenyl)propionic acid;3-AMINO-3-(4-BENZYLOXY-3-METHOXY-PHENYL)-PROPIONICACID

Chemical Property of 3-Amino-3-(4-benzyloxy-3-methoxy-phenyl)-propionic acid

Chemical Property:

• PSA: 81.78000
• LogP: 3.44900
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 301.13140809
• Heavy Atom Count: 22
• Complexity: 344

Purity/Quality:

3-Amino-3-(4-benzyloxy-3-methoxy-phenyl)-propionicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(CC(=O)O)N)OCC2=CC=CC=C2

Technology Process of 3-Amino-3-(4-benzyloxy-3-methoxy-phenyl)-propionic acid

There total 3 articles about 3-Amino-3-(4-benzyloxy-3-methoxy-phenyl)-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: 75.0%

3-methoxy-4-(phenylmethoxy)benzaldehyde (2426-87-1) + malonic acid (141-82-2) → 3-amino-3-(4'-benzyloxy-3'-methoxyphenyl)propionic acid (167887-37-8)

Guidance literature:

With ammonium acetate; In ethanol; for 24h; Reflux;

DOI:10.1016/j.ejmech.2016.03.023

Reference yield:

benzyl bromide (100-39-0) → 3-amino-3-(4'-benzyloxy-3'-methoxyphenyl)propionic acid (167887-37-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / methanol / 2 h / Reflux

2: ammonium acetate / ethanol / 24 h / Reflux

With ammonium acetate; potassium carbonate; In methanol; ethanol;

DOI:10.1016/j.ejmech.2016.03.023

Reference yield:

vanillin (121-33-5,8014-42-4) → 3-amino-3-(4'-benzyloxy-3'-methoxyphenyl)propionic acid (167887-37-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / methanol / 2 h / Reflux

2: ammonium acetate / ethanol / 24 h / Reflux

With ammonium acetate; potassium carbonate; In methanol; ethanol;

DOI:10.1016/j.ejmech.2016.03.023

upstream raw materials:

3-methoxy-4-(phenylmethoxy)benzaldehyde

malonic acid

benzyl bromide

vanillin

Downstream raw materials:

3-phthalimido-3-(4'-benzyloxy-3'-methoxyphenyl)propionic acid

3-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propionic acid