(s)-3-Amino-3-(3-nitrophenyl)propionic acid

Base Information

• Chemical Name: (s)-3-Amino-3-(3-nitrophenyl)propionic acid
• CAS No.: 734529-57-8
• Molecular Formula: C9H10N2O4
• Molecular Weight: 210.189
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID70351677
• Nikkaji Number: J3.170.941E
• Mol file: 734529-57-8.mol

Synonyms:734529-57-8;(s)-3-amino-3-(3-nitrophenyl)propanoic acid;(s)-3-amino-3-(3-nitrophenyl)propionic acid;(s)-3-amino-3-(3-nitro-phenyl)-propionic acid;(S)-beta-(3-Nitrophenyl)alanine;(3S)-3-amino-3-(3-nitrophenyl)propanoic acid;(s)-3-(3-nitrophenyl)-beta-alanine;S-3-Amino-3-(3-nitro-phenyl)-propionic acid;h-beta-phe(3-no2)-oh;(S)-3-Amino-3-(3-nitrophenyl)propanoicacid;SCHEMBL3859569;h-d-phg(3-no2)-(c*ch2)oh;DTXSID70351677;SJBFILRQMRECCK-QMMMGPOBSA-N;BCP11611;MFCD04113693;AKOS015891095;AC-25405;PS-12456;S-3-Amino-3-(3-nitrophenyl)propionic acid;CS-0156985;EN300-312404;(s)-3-amino-3-(3-nitro-phenyl)-propanoic acid

Chemical Property of (s)-3-Amino-3-(3-nitrophenyl)propionic acid

Chemical Property:

• Vapor Pressure: 1.34E-06mmHg at 25°C
• Refractive Index: 1.612
• Boiling Point: 384.5 °C at 760 mmHg
• PKA: 3.52±0.10(Predicted)
• Flash Point: 186.4 °C
• PSA: 109.14000
• Density: 1.404 g/cm³
• LogP: 2.29280
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

Benzenepropanoicacid,?-amino-3-nitro-,(?S)- 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)O)N
• Isomeric SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])[C@H](CC(=O)O)N

Technology Process of (s)-3-Amino-3-(3-nitrophenyl)propionic acid

There total 7 articles about (s)-3-Amino-3-(3-nitrophenyl)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:

m-Nitrocinnamic Acid (555-68-0,1772-76-5) → (S)-3-amino-3-(3-nitrophenyl)propionic acid (734529-57-8) + (2S)-2-amino-3-(3-nitrophenyl)propanoic acid (19883-74-0)

Guidance literature:

With ammonium bisulphate; EncP wild type enzyme; at 55 ℃; for 22h; pH=8.3; stereoselective reaction; Enzymatic reaction;

DOI:10.1021/jacs.5b07326

Reference yield:

m-Nitrocinnamic Acid (555-68-0,1772-76-5) → (S)-3-amino-3-(3-nitrophenyl)propionic acid (734529-57-8) + (2S)-2-amino-3-(3-nitrophenyl)propanoic acid (19883-74-0) + (2R)-2-amino-3-(3-nitrophenyl)propanoic acid

Guidance literature:

With ammonium bisulphate; EncP-E₂₉₃Q variant; at 55 ℃; for 22h; pH=8.3; stereoselective reaction; Enzymatic reaction;

DOI:10.1021/jacs.5b07326

Reference yield:

C13H18N2O5S → (S)-3-amino-3-(3-nitrophenyl)propionic acid (734529-57-8)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 5 - 20 ℃; for 2h;

upstream raw materials:

m-Nitrocinnamic Acid

3-nitrophenylalanine

3-nitro-benzaldehyde

Downstream raw materials:

(S)-3-amino-3-(3-nitrophenyl)propanoic acid hydrochloride

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