4-(4-Nitrophenyl)-4-oxobut-2-enoic acid

Base Information

Chemical Name:4-(4-Nitrophenyl)-4-oxobut-2-enoic acid
CAS No.:63104-97-2
Molecular Formula:C10H7NO5
Molecular Weight:221.169
Hs Code.:2918300090
DSSTox Substance ID:DTXSID70694238
Mol file:63104-97-2.mol

Synonyms:4-(4-Nitrophenyl)-4-oxobut-2-enoic acid;63104-97-2;DTXSID70694238;(E)-4-(4-NITROPHENYL)-4-OXOBUT-2-ENOICACID

Suppliers and Price of 4-(4-Nitrophenyl)-4-oxobut-2-enoic acid

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

American Custom Chemicals Corporation
(E)-4-(4-NITROPHENYL)-4-OXOBUT-2-ENOIC ACID 95.00%
10G
$ 7882.88

American Custom Chemicals Corporation
(E)-4-(4-NITROPHENYL)-4-OXOBUT-2-ENOIC ACID 95.00%
5G
$ 4244.63

American Custom Chemicals Corporation
(E)-4-(4-NITROPHENYL)-4-OXOBUT-2-ENOIC ACID 95.00%
1G
$ 1030.84

Total 2 raw suppliers

Chemical Property of 4-(4-Nitrophenyl)-4-oxobut-2-enoic acid

Chemical Property:

Boiling Point:446.8±45.0 °C(Predicted)
PKA:2.96±0.10(Predicted)
PSA：100.19000
Density:1.435±0.06 g/cm3(Predicted)
LogP:1.94150
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:221.03242232
Heavy Atom Count:16
Complexity:323

Purity/Quality:: (E)-4-(4-NITROPHENYL)-4-OXOBUT-2-ENOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)C=CC(=O)O)[N+](=O)[O-]

Technology Process of 4-(4-Nitrophenyl)-4-oxobut-2-enoic acid

There total 6 articles about 4-(4-Nitrophenyl)-4-oxobut-2-enoic acid 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: 30.0%

: 100-19-6
(4-nitrophenyl)ethanone

: 563-96-2
2,2-dihydroxyacetic acid

: 63104-97-2
(E)-4-(4-nitrophenyl)-4-oxobut-2-enoic acid

Guidance literature:: In acetic acid; for 20h; Heating;
DOI:10.1016/0223-5234(88)90166-3

Reference yield:

: 63104-97-2
(E)-4-(4-nitrophenyl)-4-oxobut-2-enoic acid

Guidance literature:: With sodium acetate;
DOI:10.1021/ja01114a510

Reference yield:

: 100-19-6
(4-nitrophenyl)ethanone

: 63104-97-2
(E)-4-(4-nitrophenyl)-4-oxobut-2-enoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: SeO₂

2: pyridine

With pyridine; selenium(IV) oxide;
DOI:10.1021/ja01651a072