Oxiranemethanol, 3-(4-nitrophenyl)-, trans-(-)-

Base Information

• Chemical Name: Oxiranemethanol, 3-(4-nitrophenyl)-, trans-(-)-
• CAS No.: 1885-07-0
• Molecular Formula: C9H9 N O4
• Molecular Weight: 195.175
• Hs Code.: 2910900090
• European Community (EC) Number: 634-952-9
• DSSTox Substance ID: DTXSID901243200
• Nikkaji Number: J2.940.724J
• Mol file: 1885-07-0.mol

Synonyms:Oxiranemethanol, 3-(4-nitrophenyl)-, trans-(-)-;1885-07-0;[(2s,3s)-3-(4-nitrophenyl)oxiran-2-yl]methanol;((2S,3S)-3-(4-nitrophenyl)oxiran-2-yl)methanol;starbld0007326;DTXSID901243200;rel-(2R,3S)-3-(4-Nitrophenyl)-2-oxiranemethanol;876369-29-8

Chemical Property of Oxiranemethanol, 3-(4-nitrophenyl)-, trans-(-)-

Chemical Property:

• Vapor Pressure: 2.09E-06mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 378.6°Cat760mmHg
• Flash Point: 182.8°C
• PSA: 78.58000
• Density: 1.405g/cm³
• LogP: 1.55020
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

98%Min ^*data from raw suppliers

(2S,3S)-(?)-3-(4-Nitrophenyl)glycidol 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-42/43-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2C(O2)CO)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1[C@@H]2[C@@H](O2)CO)[N+](=O)[O-]

Technology Process of Oxiranemethanol, 3-(4-nitrophenyl)-, trans-(-)-

There total 15 articles about Oxiranemethanol, 3-(4-nitrophenyl)-, trans-(-)- 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: 84.0%

3-(4-nitrophenyl)propyl-2-en-1-ol (35271-56-8,142917-82-6,1504-63-8) → (2S,3S)-(-)-2,3-epoxy-3-(4-nitrophenyl)-1-propanol (1885-07-0)

Guidance literature:

3-(4-nitrophenyl)propyl-2-en-1-ol; With titanium(IV) isopropylate; (R,R)-diisopropyl tartrate; In dichloromethane; at -35 ℃; for 0.5h; Molecular sieve;

With tert.-butylhydroperoxide; In decane; dichloromethane; at -35 ℃; Molecular sieve;

DOI:10.1016/j.bioorg.2021.104828

Reference yield: 82.0%

(E)-4-nitrocinnamyl alcohol (35271-56-8) → (2S,3S)-(-)-2,3-epoxy-3-(4-nitrophenyl)-1-propanol (1885-07-0)

Guidance literature:

With titanium(IV) isopropylate; tert.-butylhydroperoxide; L-(+)-diisopropyl tartrate; In dichloromethane; at -20 ℃; for 2h; 4 Angstroem molecular sieves;

DOI:10.1021/ja00253a032

Reference yield: 59.0%

C17H22N2O5S (1195778-51-8) → (2S,3S)-(-)-2,3-epoxy-3-(4-nitrophenyl)-1-propanol (1885-07-0)

Guidance literature:

With lithium triethylborohydride; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/b912070j

upstream raw materials:

(E)-4-nitrocinnamyl alcohol

((2R,3S)-3-(4-nitrophenyl) oxiran-2-yl) methanone

3-(4-nitrophenyl)-propenal

C₁₇H₂₂N₂O₅S

Downstream raw materials:

(2S,3R)-(-)-3-chloro-2-hydroxy-3-(4-nitrophenyl)-1-propanol

1S,2R-1-(4-nitrophenyl)glycerol

1R,2S-1-(4-nitrophenyl)glycerol