Dimethyl 3-nitrobenzylidenemalonate

Base Information

Chemical Name:Dimethyl 3-nitrobenzylidenemalonate
CAS No.:74313-93-2
Molecular Formula:C12H11NO6
Molecular Weight:265.222
Hs Code.:
NSC Number:126461
DSSTox Substance ID:DTXSID10995837
Nikkaji Number:J3.112.248A
ChEMBL ID:CHEMBL2148178

Synonyms:74313-93-2;CHEMBL2148178;Dimethyl 2-(3-Nitrobenzylidene)Malonate;dimethyl 3-nitrobenzylidenemalonate;NSC126461;SCHEMBL7265045;DTXSID10995837;KGGZPRWQLRHPHV-UHFFFAOYSA-N;BDBM50391694;NSC-126461;Dimethyl [(3-nitrophenyl)methylidene]propanedioate

Suppliers and Price of Dimethyl 3-nitrobenzylidenemalonate

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 4 raw suppliers

Chemical Property of Dimethyl 3-nitrobenzylidenemalonate

Chemical Property:

Vapor Pressure:3.41E-05mmHg at 25°C
Boiling Point:354.2°Cat760mmHg
Flash Point:146.8°C
Density:1.335g/cm³
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:265.05863707
Heavy Atom Count:19
Complexity:380

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 3-nitrobenzylidenemalonate

There total 1 articles about Dimethyl 3-nitrobenzylidenemalonate 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: 82.0%

: 99-61-6
3-nitro-benzaldehyde

: 108-59-8
malonic acid dimethyl ester

: 74313-93-2
dimethyl (3-nitrobenzylidene)malonate

Guidance literature:: With piperidin-1-ium piperidine-1-carboxylate; In neat (no solvent); at 25 ℃;
DOI:10.1021/ol400462d

Reference yield: 99.0%

: 74313-93-2
dimethyl (3-nitrobenzylidene)malonate

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: dimethyl 2-((3-nitrophenyl)(2-oxocyclohexyl)methyl)malonate

Guidance literature:: With C₁₅H₂₁N₃O; 3,5-dinitrosalicylic acid; In water; at 35 ℃; for 72h; optical yield given as %ee; stereoselective reaction;
DOI:10.1039/b910939k

Reference yield: 87.0%

: 74313-93-2
dimethyl (3-nitrobenzylidene)malonate

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 1398509-40-4
dimethyl 2‐{(S)‐(3‐nitrophenyl)[(1S)‐2‐oxocyclohexyl]methyl}propanedioate

Guidance literature:: cyclohexanone; With silver hexafluoroantimonate; (2S)-2-amino-3,3-dimethyl-N-(pyridin-2-yl)butanamide; zinc(II) chloride; In acetonitrile; at 20 ℃; for 3h;

dimethyl (3-nitrobenzylidene)malonate; In acetonitrile; at 20 ℃; for 144h; enantioselective reaction;
DOI:10.1021/jo301070s