Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester

Base Information

Chemical Name:Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester
CAS No.:100719-33-3
Molecular Formula:C14H17NO6
Molecular Weight:295.292
Hs Code.:
DSSTox Substance ID:DTXSID20391265

Synonyms:100719-33-3;Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester;SCHEMBL14338543;DTXSID20391265;CFNLQAIKBRQDQG-UHFFFAOYSA-N;STK728503;AKOS005524589;dimethyl [1-(4-methylphenyl)-2-nitroethyl]propanedioate;methyl 2-methoxycarbonyl-3-(4-methylphenyl}4-nitrobutanoate;methyl 2-methoxycarbonyl-3-(4-methylphenyl)-4-nitrobutanoate

Suppliers and Price of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl 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
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price

Total 1 raw suppliers

Chemical Property of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester

Chemical Property:

PSA：98.42000
LogP:1.84070
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:295.10558726
Heavy Atom Count:21
Complexity:367

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC

Technology Process of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester

There total 8 articles about Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl 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%

: 7559-36-6,5153-68-4
4-methyl-β-nitrostyrene

: 108-59-8
malonic acid dimethyl ester

: 100719-33-3
methyl 2-carbomethoxy-4-nitro-3-(4-methyl-phenyl)-butyrate

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

Reference yield: 94.0%

: 75-52-5
nitromethane

: 104-87-0
4-methyl-benzaldehyde

: 108-59-8
malonic acid dimethyl ester

: 100719-33-3
methyl 2-carbomethoxy-4-nitro-3-(4-methyl-phenyl)-butyrate

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

Reference yield: 93.0%

: 101671-00-5,5153-68-4
(E)-2-(4-methylphenyl)-1-nitroethene

: 108-59-8
malonic acid dimethyl ester

: 100719-33-3
methyl 2-carbomethoxy-4-nitro-3-(4-methyl-phenyl)-butyrate

Guidance literature:: With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; In toluene; at 25 ℃; for 0.0833333h;
DOI:10.1016/j.tetlet.2005.08.010