2-Ethynyl-4-nitroaniline

Base Information

Chemical Name:2-Ethynyl-4-nitroaniline
CAS No.:125600-42-2
Molecular Formula:C8H6N2O2
Molecular Weight:162.148
Hs Code.:
DSSTox Substance ID:DTXSID40468509
Nikkaji Number:J2.322.376G
Wikidata:Q82295735
Mol file:125600-42-2.mol

Synonyms:2-Ethynyl-4-nitroaniline;125600-42-2;4-Nitro-2-ethynylaniline;DTXSID40468509;AKOS016007945;CS-0443311;D96446

Suppliers and Price of 2-Ethynyl-4-nitroaniline

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

Crysdot
2-Ethynyl-4-nitroaniline 95+%
1g
$ 772.00

American Custom Chemicals Corporation
2-ETHYNYL-4-NITROANILINE 95.00%
5MG
$ 505.74

Alichem
2-Ethynyl-4-nitroaniline
1g
$ 653.12

Total 6 raw suppliers

Chemical Property of 2-Ethynyl-4-nitroaniline

Chemical Property:

PSA：71.84000
LogP:2.26270
Storage Temp.:2-8°C
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:162.042927438
Heavy Atom Count:12
Complexity:225

Purity/Quality:

99% ^*data from raw suppliers

2-Ethynyl-4-nitroaniline 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Ethynyl-4-nitroaniline

There total 5 articles about 2-Ethynyl-4-nitroaniline 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: 88.0%

: 503534-46-1
4-nitro-2-[(trimethylsilyl)ethynyl]aniline

: 125600-42-2
2-amino-5-nitrophenylacetylene

Guidance literature:: With potassium hydroxide; In methanol; water; at 20 ℃;
DOI:10.1021/jo060245f

Reference yield: 47.0%

: 6293-83-0
2-iodo-4-nitrophenylamine

: 1066-54-2
trimethylsilylacetylene

: 125600-42-2
2-amino-5-nitrophenylacetylene

Guidance literature:: With copper(l) iodide; trans-bis(triphenylphosphine)palladium dichloride; diethylamine; at 20 ℃; Inert atmosphere;
DOI:10.1021/ol203360g

Reference yield:

: 6293-83-0
2-iodo-4-nitrophenylamine

: 125600-42-2
2-amino-5-nitrophenylacetylene

Guidance literature:: Multi-step reaction with 2 steps

1: CuI; diethylamine / PdCl₂(PPh₃)2 / 25 °C

2: potassium carbonate / methanol / 25 °C

With copper(l) iodide; potassium carbonate; diethylamine; bis-triphenylphosphine-palladium(II) chloride; In methanol; 1: Sonogashira coupling;
DOI:10.1002/anie.200604183