(3R)-3-amino-3-(4-nitrophenyl)propanoic acid

Base Information

• Chemical Name: (3R)-3-amino-3-(4-nitrophenyl)propanoic acid
• CAS No.: 501120-99-6
• Molecular Formula: C9H10 N2 O4
• Molecular Weight: 210.189
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID60362530
• Mol file: 501120-99-6.mol

Synonyms:501120-99-6;(r)-3-(p-nitrophenyl)-beta-alanine;(r)-3-amino-3-(4-nitrophenyl)propanoic acid;(3R)-3-amino-3-(4-nitrophenyl)propanoic acid;(r)-3-amino-3-(4-nitro-phenyl)-propionic acid;R-3-Amino-3-(4-nitro-phenyl)-propionic acid;(R)-3-(4-Nitrophenyl)-beta-alanine;h-d-beta-phe(4-no2)-oh;p-nitro-beta-phenylalanine;h-phg(4-no2)-(c*ch2)oh;(r)-p-nitro-beta-phenylalanine;SCHEMBL5720945;(R)- -(p-Nitrophenyl)alanine;(r)-beta-(p-nitrophenyl)alanine;DTXSID60362530;H-Phg(4-NO2)-(C#CH2)OH;MFCD04113667;AKOS015994801;AC-24597;AS-38154;A7442;CS-0170915;(R)-3-Amino-3-(4-nitrophenyl)propanoicacid;(r)-3-amino-3-(4-nitrophenyl)propionic acid;(2R)-3-amino-2-(4-nitrophenyl)propanoic acid;(R)-3-amino-2-(4-nitrophenyl)propanoic acid;(r)-3-amino-3-(4-nitro-phenyl)-propanoic acid;(R)-3-Amino-3-(4-nitrophenyl)-propionic acid;Benzenepropanoic acid, b-amino-4-nitro-, (bR)-;EN300-1068478

Chemical Property of (3R)-3-amino-3-(4-nitrophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 1.81E-07mmHg at 25°C
• Boiling Point: 410.3°C at 760 mmHg
• Flash Point: 202°C
• PSA: 109.14000
• Density: 1.404g/cm³
• LogP: 2.29280
• Storage Temp.: 2-8°C
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

99.3% ^*data from raw suppliers

(R)-3-(p-Nitrophenyl)-β-alanine ^*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)N)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1[C@@H](CC(=O)O)N)[N+](=O)[O-]

Technology Process of (3R)-3-amino-3-(4-nitrophenyl)propanoic acid

There total 3 articles about (3R)-3-amino-3-(4-nitrophenyl)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: 8.0%

p-nitrocinnamic acid (619-89-6) → (R)-3-amino-3-(4'-nitrophenyl)propanoic acid (501120-99-6,501030-96-2) + 4-nitro-3-phenyl-L-alanine (949-99-5)

Guidance literature:

With ammonia; at 25 ℃; pH=9; regioselective reaction; Kinetics; aq. buffer; Enzymatic reaction;

DOI:10.1002/anie.201106372

Reference yield:

→ (R)-3-amino-3-(4'-nitrophenyl)propanoic acid (501120-99-6,501030-96-2)

Guidance literature:

Reference yield:

→ (R)-3-amino-3-(4'-nitrophenyl)propanoic acid (501120-99-6,501030-96-2) + (RS)-3-Amino-3-(4-nitrophenyl)propanoic acid (102308-62-3,131690-58-9,131690-59-0,501030-96-2)

Guidance literature:

upstream raw materials:

p-nitrocinnamic acid

Refernces

• 1、 -. "Enzymatic process for the enantiomeric resolution of amino acids". . . Retrieved 2008/06/13.