3-Amino-3-(4-isopropoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-Amino-3-(4-isopropoxyphenyl)propanoic acid
• CAS No.: 311321-19-4
• Molecular Formula: C₁₂H₁₇NO₃
• Molecular Weight: 223.272
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID40389907
• Mol file: 311321-19-4.mol

Synonyms:3-amino-3-(4-isopropoxyphenyl)propanoic acid;311321-19-4;3-Amino-3-(4-isopropoxy-phenyl)-propionic acid;3-amino-3-(4-propan-2-yloxyphenyl)propanoic acid;3-amino-3-(4-isopropoxyphenyl)propionic acid;3-(4-isopropoxyphenyl)-beta-alanine;3-amino-3-[4-(propan-2-yloxy)phenyl]propanoic acid;MFCD00568312;3-AMINO-3-(4-ISOPROPOXYPHENYL)PROPANOICACID;Oprea1_284048;Oprea1_337164;DTXSID40389907;GQJOHIGVBBGCRS-UHFFFAOYSA-N;BBL005124;STK500298;AKOS000266273;AKOS016093134;SY014255;VS-01558;BB 0249739;CS-0206984;EU-0066605;FT-0676735;EN300-226944;N12467;3-Amino-3-(4-isopropoxy-phenyl)-propionic acid;A876021;SR-01000514691;SR-01000514691-1;3-AMINO-3-(4-ISOPROPOXY-PHENYL)-PROPIONICACID

Chemical Property of 3-Amino-3-(4-isopropoxyphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 3.22E-06mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 372.8 °C at 760 mmHg
• Flash Point: 179.3 °C
• PSA: 72.55000
• Density: 1.143 g/cm³
• LogP: 2.64860
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-3-(4-isopropoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=C(C=C1)C(CC(=O)O)N

Technology Process of 3-Amino-3-(4-isopropoxyphenyl)propanoic acid

There total 2 articles about 3-Amino-3-(4-isopropoxyphenyl)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: 60.0%

malonic acid (141-82-2) + 4-isopropoxybenzaldehyde (18962-05-5) → (2E)-3-[4-(propan-2-yloxy)phenyl]prop-2-enoic acid (586960-22-7) + 3-amino-3-(4-isopropoxy-phenyl)-propionic acid (311321-19-4)

Guidance literature:

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

DOI:10.1007/s11176-005-0377-9

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3-amino-3-(4-isopropoxy-phenyl)-propionic acid (311321-19-4)

Guidance literature:

Multi-step reaction with 2 steps

1: anhydrous potash / dimethylformamide / 2 h / 110 °C

2: 60 percent / ammonium acetate / butan-1-ol / Heating

With ammonium acetate; potassium carbonate; In N,N-dimethyl-formamide; butan-1-ol; 2: Rodionov reaction;

DOI:10.1007/s11176-005-0377-9

Reference yield:

3-amino-3-(4-isopropoxy-phenyl)-propionic acid (311321-19-4) → C15H19O4N

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / 2 h / Heating

2: triethylamine / benzene / Heating

3: toluene / 0 °C

With thionyl chloride; triethylamine; In toluene; benzene;

DOI:10.1134/S1070363206070115

upstream raw materials:

malonic acid

4-isopropoxybenzaldehyde

4-hydroxy-benzaldehyde

Downstream raw materials:

C₁₄H₂₁O₃N*HCl

C₁₇H₂₉O₃NSi

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