1,4-Diethynyl-2-nitrobenzene

Base Information

Chemical Name:1,4-Diethynyl-2-nitrobenzene
CAS No.:113639-27-3
Molecular Formula:C10H5NO2
Molecular Weight:171.155
Hs Code.:
DSSTox Substance ID:DTXSID90477949
Nikkaji Number:J2.008.354I
Wikidata:Q82311035
Mol file:113639-27-3.mol

Synonyms:1,4-Diethynyl-2-nitrobenzene;113639-27-3;2-nitro-1,4-diethynylbenzene;SCHEMBL9793498;DTXSID90477949;AKOS016002596;A894338

Suppliers and Price of 1,4-Diethynyl-2-nitrobenzene

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 7 raw suppliers

Chemical Property of 1,4-Diethynyl-2-nitrobenzene

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:171.032028402
Heavy Atom Count:13
Complexity:298

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1,4-Diethynyl-2-nitrobenzene

There total 8 articles about 1,4-Diethynyl-2-nitrobenzene 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%

: 546112-66-7
2-nitro-1,4-bis(trimethylsilanylethynyl)benzene

: 113639-27-3
1-nitro-2,5-diethynylbenzene

Guidance literature:: With potassium carbonate; In methanol; dichloromethane;
DOI:10.1016/S0040-4020(03)00246-1

Reference yield: 78.0%

: 2-nitro-1,4-bis(1,3,3-trimethylindolin-2-ylideneacetyl)benzene

: 113639-27-3
1-nitro-2,5-diethynylbenzene

Guidance literature:: With trichlorophosphate; In 1,4-dioxane; at 90 ℃; for 6h;
DOI:10.1007/s11172-006-0160-z

Reference yield:

: 89488-57-3
1,4-diiodo-2-nitrobenzene

: 113639-27-3
1-nitro-2,5-diethynylbenzene

Guidance literature:: Multi-step reaction with 2 steps

1: Pd(dba)2; PPh₃; iPr₂NEt / CuI / tetrahydrofuran / 25 °C

2: K₂CO₃ / methanol

With potassium carbonate; N-ethyl-N,N-diisopropylamine; triphenylphosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; copper(l) iodide; In tetrahydrofuran; methanol; 1: Sonogashira coupling;
DOI:10.1021/ja036771v