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

Base Information

• Chemical Name: (r)-3-Amino-3-(3-nitrophenyl)propionic acid
• CAS No.: 787544-61-0
• Molecular Formula: C9H10N2O4
• Molecular Weight: 210.189
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10351676
• Nikkaji Number: J3.170.942C
• Mol file: 787544-61-0.mol

Synonyms:787544-61-0;(r)-3-amino-3-(3-nitrophenyl)propionic acid;(r)-3-amino-3-(3-nitro-phenyl)-propionic acid;(3R)-3-amino-3-(3-nitrophenyl)propanoic acid;(r)-3-(3-nitrophenyl)-beta-alanine;(r)-3-amino-3-(3-nitrophenyl)propanoic acid;(r)-beta-(3-nitrophenyl)alanine;R-3-Amino-3-(3-nitro-phenyl)-propionic acid;h-d-beta-phe(3-no2)-oh;h-phg(3-no2)-(c*ch2)oh;SCHEMBL3310878;(R)- -(3-Nitrophenyl)alanine;DTXSID10351676;SJBFILRQMRECCK-MRVPVSSYSA-N;H-Phg(3-NO2)-(C#CH2)OH;MFCD04113660;AKOS016842391;AC-25404;AS-38155;(r)-3-amino-3-(3-nitrophenyl)propionicacid;CS-0156986;EN300-370694;(r)-3-amino-3-(3-nitro-phenyl)-propanoic acid;Benzenepropanoic acid, b-amino-3-nitro-, (bR)-

Chemical Property of (r)-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
• Flash Point: 186.4 °C
• PSA: 109.14000
• Density: 1.404 g/cm³
• LogP: 2.29280
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• 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:

99% ^*data from raw suppliers

(R)-3-Amino-3-(3-nitrophenyl)propanoicacid 97% ^*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 (r)-3-Amino-3-(3-nitrophenyl)propionic acid

There total 2 articles about (r)-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:

3-amino-3-(3-nitro-phenyl)-propionic acid (5678-47-7) → (R)-3-amino-3-(3-nitrophenyl)propanoic acid (787544-61-0) + (E)-3-Nitrocinnamic acid (555-68-0,1772-76-5) + (2S)-2-amino-3-(3-nitrophenyl)propanoic acid (19883-74-0)

Guidance literature:

With phenylalanine ammonia α-lyase from Anabaena variabilis; phenylalanine ammonia lyase from Streptomyces maritimus; In aq. buffer; at 30 ℃; for 24h; pH=8; Reagent/catalyst; enantioselective reaction; Resolution of racemate; Enzymatic reaction;

DOI:10.1002/adsc.201600894

Reference yield:

→ (R)-3-amino-3-(3-nitrophenyl)propanoic acid (787544-61-0) + (S)-3-(3-nitrophenyl)-3-phenylacetylaminopropionic acid

Guidance literature:

Reference yield: 78.0%

(R)-3-amino-3-(3-nitrophenyl)propanoic acid (787544-61-0) + ethanol (64-17-5) → (R)-ethyl 3-amino-3-(3-nitrophenyl)propanoate hydrochloride

Guidance literature:

(R)-3-amino-3-(3-nitrophenyl)propanoic acid; With hydrogenchloride; In 1,4-dioxane; acetonitrile;

ethanol; With thionyl chloride; at 0 - 40 ℃;

upstream raw materials:

3-amino-3-(3-nitro-phenyl)-propionic acid

Downstream raw materials:

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

(R)-ethyl 3-(3-aminophenyl)-3-(tert-butoxycarbonylamino)propanoate

Refernces

• 1、 -. "β-alanine derivatives". . . Retrieved 2008/06/13.