Dimethyl [1-(4-bromophenyl)-2-nitroethyl]propanedioate

Base Information

Chemical Name:Dimethyl [1-(4-bromophenyl)-2-nitroethyl]propanedioate
CAS No.:41441-38-7
Molecular Formula:C13H14BrNO6
Molecular Weight:360.161
Hs Code.:
DSSTox Substance ID:DTXSID70388069
Mol file:41441-38-7.mol

Synonyms:41441-38-7;Dimethyl [1-(4-bromophenyl)-2-nitroethyl]propanedioate;dimethyl 2-[1-(4-bromophenyl)-2-nitroethyl]propanedioate;SCHEMBL14338542;DTXSID70388069;SR-01000298954;SR-01000298954-1

Suppliers and Price of Dimethyl [1-(4-bromophenyl)-2-nitroethyl]propanedioate

Supply Marketing:

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

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Chemical Property of Dimethyl [1-(4-bromophenyl)-2-nitroethyl]propanedioate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:359.00045
Heavy Atom Count:21
Complexity:373

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)Br)C(=O)OC

Technology Process of Dimethyl [1-(4-bromophenyl)-2-nitroethyl]propanedioate

There total 6 articles about Dimethyl [1-(4-bromophenyl)-2-nitroethyl]propanedioate 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%

: 3156-37-4
4-bromo-β-nitrostyrene

: 108-59-8
malonic acid dimethyl ester

: 41441-38-7
methyl 2-carbomethoxy-4-nitro-3-(4-bromo-phenyl)-butyrate

Guidance literature:: With C₂₃H₃₇N₃O₉S; In toluene; at -20 ℃; for 36h; enantioselective reaction;
DOI:10.1055/s-0028-1087370

Reference yield: 94.0%

: 3156-37-4,5153-71-9
(E)-1-bromo-4-(2-nitrovinyl)benzene

: 108-59-8
malonic acid dimethyl ester

: 41441-38-7
methyl 2-carbomethoxy-4-nitro-3-(4-bromo-phenyl)-butyrate

Guidance literature:: With triethylamine; at 20 ℃; Green chemistry;

Reference yield: 43.0%

: 75-52-5
nitromethane

: 1122-91-4
4-bromo-benzaldehyde

: 108-59-8
malonic acid dimethyl ester

: 41441-38-7
methyl 2-carbomethoxy-4-nitro-3-(4-bromo-phenyl)-butyrate

Guidance literature:: microencapsulated poly(ethyleneimine); [(+/-)-trans-1,2-dibenzylaminocyclohexane]2*NiBr₂; In methanol; at 20 ℃; for 24h;
DOI:10.1021/ja071706x