tert-butyl (2E)-3-(3-nitrophenyl)prop-2-enoate

Base Information

Chemical Name:tert-butyl (2E)-3-(3-nitrophenyl)prop-2-enoate
CAS No.:350490-16-3
Molecular Formula:C₁₃H₁₅NO₄
Molecular Weight:249.266
Hs Code.:
DSSTox Substance ID:DTXSID101214356
Nikkaji Number:J1.567.952B

Synonyms:350490-16-3;DTXSID101214356;EN300-844695;tert-butyl (2E)-3-(3-nitrophenyl)prop-2-enoate;1,1-Dimethylethyl (2E)-3-(3-nitrophenyl)-2-propenoate

Suppliers and Price of tert-butyl (2E)-3-(3-nitrophenyl)prop-2-enoate

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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Total 0 raw suppliers

Chemical Property of tert-butyl (2E)-3-(3-nitrophenyl)prop-2-enoate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:249.10010796
Heavy Atom Count:18
Complexity:338

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of tert-butyl (2E)-3-(3-nitrophenyl)prop-2-enoate

There total 7 articles about tert-butyl (2E)-3-(3-nitrophenyl)prop-2-enoate 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: 96.0%

: 645-00-1
m-iodonitrobenzene

: 1663-39-4,25232-27-3
tert-Butyl acrylate

: 350490-16-3
butyl (3-nitro)cinnamate

Guidance literature:: With triethylamine; at 80 ℃; for 3h; Ionic liquid;
DOI:10.1016/j.molcata.2010.10.015

Reference yield: 94.0%

: 1663-39-4,25232-27-3
tert-Butyl acrylate

: 585-79-5
m-nitrobromobenzene

: 350490-16-3
butyl (3-nitro)cinnamate

Guidance literature:: With dichlorobis(1,4-dimesityl-1H-1,2,3-triazol-5-ylidene)palladium(II); sodium acetate; In N,N-dimethyl acetamide; at 150 ℃; for 8h; optical yield given as %de; Inert atmosphere;
DOI:10.1016/j.tet.2011.07.045

Reference yield:

: 1663-39-4,25232-27-3
tert-Butyl acrylate

: 98-95-3,26969-40-4
nitrobenzene

: 906552-00-9
3-(2'-nitrophenyl)-(E)-propenoic acid tert-butyl ester

: 350490-16-3
butyl (3-nitro)cinnamate

Guidance literature:: With sodium molybdate dihydrate; oxygen; palladium diacetate; <2,2'-bipyridin>-6(1H)-one; In N,N-dimethyl acetamide; at 120 ℃; for 24h; under 760.051 Torr; Overall yield = 60 percent; Overall yield = 51 mg; regioselective reaction; Schlenk technique; Sealed tube;
DOI:10.1002/adsc.202100677