Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaS)-rel-

Base Information

Chemical Name:Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaS)-rel-
CAS No.:138668-13-0
Deprecated CAS:141377-58-4
Molecular Formula:C₁₁H₁₅NO₃
Molecular Weight:209.245
Hs Code.:
DSSTox Substance ID:DTXSID50160744
Nikkaji Number:J1.440.076A
Wikidata:Q83029084

Synonyms:Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaS)-rel-;138668-13-0;Benzenepropanol, alpha-(1-nitroethyl)-, (R*,S*)-;SCHEMBL17354923;DTXSID50160744;(3R,4S)-1-Phenyl-4-nitro-3-pentanol

Suppliers and Price of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaS)-rel-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 0 raw suppliers

Chemical Property of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaS)-rel-

Chemical Property:

Vapor Pressure:6.62E-06mmHg at 25°C
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:209.10519334
Heavy Atom Count:15
Complexity:197

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(CCC1=CC=CC=C1)O)[N+](=O)[O-]
Isomeric SMILES:C[C@@H]([C@@H](CCC1=CC=CC=C1)O)[N+](=O)[O-]

Technology Process of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaS)-rel-

There total 45 articles about Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaS)-rel- 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: 94.0%

: 104-53-0
3-phenyl-propionaldehyde

: 79-24-3
Nitroethane

: 89449-82-1,141377-58-4,138668-13-0,141377-57-3
4-nitro-1-phenyl-3-pentanol

Guidance literature:: With sodium hydroxide; cetyltrimethylammonium chloride; for 2h; Ambient temperature;
DOI:10.1021/jo961201h

Reference yield: 91.0%

: 104-53-0
3-phenyl-propionaldehyde

: 79-24-3
Nitroethane

: 141377-58-4,138668-13-0,141377-57-3
(3R,4R)-4-nitro-1-phenylpentan-3-ol

Guidance literature:: With 4-methyl-morpholine; C₃₁H₃₃CuF₆N₅O₆S₂; In 1,4-dioxane; at 0 ℃; for 24h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1002/chem.201000650

Reference yield:

: 104-53-0
3-phenyl-propionaldehyde

: 79-24-3
Nitroethane

: 141377-58-4,138668-13-0,141377-57-3
4-nitro-1-phenylpentan-3-ol

: 141377-58-4,138668-13-0,141377-57-3
(3S,4R)-4-nitro-1-phenylpentan-3-ol

: 141377-58-4,138668-13-0,141377-57-3
(3R,4S)-4-nitro-1-phenylpentan-3-ol

Guidance literature:: With 4-bromophenol; chiral heterobimetallic Pd/La/Schiff base complex; In tetrahydrofuran; xylene; at -40 ℃; for 85h;
DOI:10.1002/anie.200705617