Propanedioic acid, [(1R)-1-(4-chlorophenyl)-2-nitroethyl]-, diethyl ester

Base Information

Chemical Name:Propanedioic acid, [(1R)-1-(4-chlorophenyl)-2-nitroethyl]-, diethyl ester
CAS No.:834917-62-3
Molecular Formula:C15H18ClNO6
Molecular Weight:343.764
Hs Code.:
DSSTox Substance ID:DTXSID90458152
Nikkaji Number:J2.135.000A
Wikidata:Q82281312

Synonyms:834917-62-3;Propanedioic acid, [(1R)-1-(4-chlorophenyl)-2-nitroethyl]-, diethyl ester;SCHEMBL13473786;DTXSID90458152;[(R)-1-(4-Chlorophenyl)-2-nitroethyl]malonic acid diethyl ester

Suppliers and Price of Propanedioic acid, [(1R)-1-(4-chlorophenyl)-2-nitroethyl]-, diethyl ester

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
Packaging
price

Total 2 raw suppliers

Chemical Property of Propanedioic acid, [(1R)-1-(4-chlorophenyl)-2-nitroethyl]-, diethyl ester

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:343.0822650
Heavy Atom Count:23
Complexity:399

Purity/Quality:: 95%-98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Propanedioic acid, [(1R)-1-(4-chlorophenyl)-2-nitroethyl]-, diethyl ester

There total 8 articles about Propanedioic acid, [(1R)-1-(4-chlorophenyl)-2-nitroethyl]-, diethyl ester 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: 99.0%

: 706-07-0,5153-70-8
1-chloro-4-(2-nitrovinyl)benzene

: 105-53-3
diethyl malonate

: 834917-62-3
(R)-ethyl 2-carboethoxy-4-nitro-3-(4-chlorophenyl)butyrate

Guidance literature:: With 4-methyl-morpholine; C₃₀H₂₆Br₄N₂Ni; In toluene; at 80 ℃; for 4h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1002/ejoc.201100488

Reference yield: 93.0%

: 101671-01-6,5153-70-8
1-nitro-2-(4-chlorophenyl)ethylene

: 105-53-3
diethyl malonate

: 834917-62-3
(R)-ethyl 2-carboethoxy-4-nitro-3-(4-chlorophenyl)butyrate

Guidance literature:: With C₁₂₁H₁₃₆N₈O₈⁽⁴⁺⁾*4Br^(1-); triethylamine; In ethanol; at 20 ℃; for 0.5h; Reagent/catalyst; enantioselective reaction;
DOI:10.1039/c5ob01351h

Reference yield:

: 706-07-0,5153-70-8
1-chloro-4-(2-nitrovinyl)benzene

: 105-53-3
diethyl malonate

: (S)-ethyl 2-carboethoxy-4-nitro-3-(4-chlorophenyl)butyrate

: 834917-62-3
(R)-ethyl 2-carboethoxy-4-nitro-3-(4-chlorophenyl)butyrate

Guidance literature:: With (1R,2R)-N₁-(1H-benzo[d]imidazol-2-yl)-N₂,N₂-dimethyl-cyclohexane-1,2-diamine; trifluoroacetic acid; In toluene; at 20 ℃; for 48h; optical yield given as %ee; enantioselective reaction;
DOI:10.1021/jo9010552