(S)-2-amino-1-(4-nitrophenyl)ethanol

Base Information

• Chemical Name: (S)-2-amino-1-(4-nitrophenyl)ethanol
• CAS No.: 129894-63-9
• Molecular Formula: C₈H₁₀N₂O₃
• Molecular Weight: 182.179
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID00357102
• Nikkaji Number: J425.624G
• Wikidata: Q82136842
• Mol file: 129894-63-9.mol

Synonyms:129894-63-9;(S)-2-amino-1-(4-nitrophenyl)ethanol;(1S)-2-amino-1-(4-nitrophenyl)ethanol;Benzenemethanol,-(aminomethyl)-4-nitro-,(S)-;Benzenemethanol, a-(aminomethyl)-4-nitro-, (S)- (9CI);Benzenemethanol,a-(aminomethyl)-4-nitro-,(S)-;SCHEMBL4942727;DTXSID00357102;AKOS017515491;(1S)-2-amino-1-(4-nitrophenyl)ethan-1-ol;Benzenemethanol,a-(aminomethyl)-4-nitro-,(as)-;EN300-1147269;BENZENEMETHANOL, A-(AMINOMETHYL)-4-NITRO-, (AS)-

Chemical Property of (S)-2-amino-1-(4-nitrophenyl)ethanol

Chemical Property:

• Melting Point: 132 - 133 °C (H2O)
• PSA: 92.07000
• LogP: 1.81040
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 182.06914219
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

(S)-ALPHA-(AMINOMETHYL)-4-NITRO-BENZENEMETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CN)O)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1[C@@H](CN)O)[N+](=O)[O-]

Technology Process of (S)-2-amino-1-(4-nitrophenyl)ethanol

There total 3 articles about (S)-2-amino-1-(4-nitrophenyl)ethanol 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:

2-Hydroxy-2-(4-nitrophenyl)ethylamine (16428-47-0) → (+) 2-amino-1-(4-nitro-phenyl)-ethanol (16428-47-0,34041-55-9,129894-62-8,129894-63-9)

Guidance literature:

With L-(-)-O,O'-dibenzoyltartaric acid;

Reference yield:

4-nitrostyrene (100-13-0) → 2-Hydroxy-2(4-Nitro-phenyl-ethyl)-ethyl-ammonium-chlorid (129894-63-9) + (R)-2-amino-1-(4-nitrophenyl)ethanol

Guidance literature:

With D-glucose; O-pivaloylhydroxylamine trifluoromethanesulfonate salt; catalase from Corynebacterium glutamicum; glucose oxidase Aspergillus niger; Rhodothermus marinus cytochrome c Y₄₄T, M₇₆Q, T₉₈L, M₉₉V, M₁₀₀S, T₁₀₁P and M₁₀₃G variant; water; In aq. phosphate buffer; dimethyl sulfoxide; at 20 ℃; for 2h; pH=8; enantioselective reaction; Catalytic behavior; Enzymatic reaction;

DOI:10.1002/anie.201812968

Reference yield:

→ 2-Hydroxy-2(4-Nitro-phenyl-ethyl)-ethyl-ammonium-chlorid (129894-63-9)

Guidance literature:

Ethylamin I, 1) Essigsaeureanhydrid, 2) HNO3, H2SO4;

upstream raw materials:

4-nitrostyrene

2-Hydroxy-2-(4-nitrophenyl)ethylamine