2-(4-Nitrobenzylidene)tetralin-1-one

Base Information

Chemical Name:2-(4-Nitrobenzylidene)tetralin-1-one
CAS No.:49545-72-4
Molecular Formula:C17H13NO3
Molecular Weight:279.295
Hs Code.:
NSC Number:636734,237503
Nikkaji Number:J1.514.188C
Pharos Ligand ID:WDQ6FZRY63RK
ChEMBL ID:CHEMBL281980
Mol file:49545-72-4.mol

Synonyms:2-(4-nitrobenzylidene)tetralin-1-one;MLS000756777;49545-72-4;(2E)-2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one;SMR000529060;NSC636734;CHEMBL281980;cid_315039;BDBM76586;2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one;HMS2884B03;NSC237503;AKOS001035374;NSC-237503;NSC-636734;AB00709406-01;(2E)-2-(4-nitrobenzylidene)-3,4-dihydro-1(2H)-naphthalenone

Suppliers and Price of 2-(4-Nitrobenzylidene)tetralin-1-one

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 2-(4-Nitrobenzylidene)tetralin-1-one

Chemical Property:

Vapor Pressure:3.15E-08mmHg at 25°C
Boiling Point:448.2°Cat760mmHg
Flash Point:212.8°C
Density:1.315g/cm³
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:279.08954328
Heavy Atom Count:21
Complexity:443

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C31
Isomeric SMILES:C1C/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)C3=CC=CC=C31

Technology Process of 2-(4-Nitrobenzylidene)tetralin-1-one

There total 2 articles about 2-(4-Nitrobenzylidene)tetralin-1-one 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: 75.0%

: 555-16-8
4-nitrobenzaldehdye

: 529-34-0
3,4-dihydronaphthalene-1(2H)-one

: 49545-72-4
2-(4-nitrobenzylidene)-3,4-dihydronaphthalen-1(2H)-one

Guidance literature:: With toluene-4-sulfonic acid; 1.) reflux, 7 h, 2.) room temperature, overnight;

Reference yield:

: 49545-72-4
2-(4-nitrobenzylidene)-3,4-dihydronaphthalen-1(2H)-one

Guidance literature:: α-Tetralon, entspr. Aldehyd, KOH;

Reference yield: 33.0%

: 49545-72-4
2-(4-nitrobenzylidene)-3,4-dihydronaphthalen-1(2H)-one

: 3'-(4-nitrophenyl)-3,4-dihydro-1H-spiro[naphthalene-2,2'-oxiran]-1-one

Guidance literature:: With iron(II) trifluoroacetate; C₃₀H₃₄N₄O₂; 3-chloro-benzenecarboperoxoic acid; In acetonitrile; at -20 ℃; for 2h; enantioselective reaction;
DOI:10.1021/acs.orglett.5b00018