(2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoic Acid Methyl Ester

Base Information

Chemical Name:(2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoic Acid Methyl Ester
CAS No.:224044-67-1
Molecular Formula:C11H9NO6
Molecular Weight:251
Hs Code.:
DSSTox Substance ID:DTXSID10445125
Nikkaji Number:J1.142.783I
Wikidata:Q82263459
Mol file:224044-67-1.mol

Synonyms:(2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoic Acid Methyl Ester;224044-67-1;methyl (E)-4-(3-hydroxy-2-nitrophenyl)-4-oxobut-2-enoate;FT-0669896;DTXSID10445125;HNATUFITVBWQHT-AATRIKPKSA-N;J-014689;(E)-4-(2-Nitro-3-hydroxyphenyl)-4-oxo-2-butenoic acid methyl ester

Suppliers and Price of (2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoic Acid Methyl Ester

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

TRC
(2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoicAcidMethylEster
5mg
$ 65.00

Total 2 raw suppliers

Chemical Property of (2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoic Acid Methyl Ester

Chemical Property:

PSA：109.42000
LogP:1.73550
Solubility.:Acetonitrile, Chloroform
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:251.04298701
Heavy Atom Count:18
Complexity:372

Purity/Quality:

95% ^*data from raw suppliers

(2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C=CC(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-]
Isomeric SMILES:COC(=O)/C=C/C(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-]
Uses (2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoic Acid Methyl Ester can be used in the preparation of human UV filters.

Technology Process of (2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoic Acid Methyl Ester

There total 1 articles about (2E)-4-(3-Hydroxy-2-nitrophenyl)-4-oxo-2-butenoic Acid Methyl Ester 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: 45.0%

: 67-56-1
methanol

: 93367-77-2,224044-66-0
(E)-4-(3-hydroxy-2-nitrophenyl)-4-oxobut-2-enoic acid

: 224044-67-1
methyl (E)-4-oxo-4-(3-hydroxy-2-nitrophenyl)-2-butenoate

Guidance literature:: With dicyclohexyl-carbodiimide; In dichloromethane; Ambient temperature;
DOI:10.1021/jo982321n

Reference yield:

: 224044-67-1
methyl (E)-4-oxo-4-(3-hydroxy-2-nitrophenyl)-2-butenoate

: 156913-43-8
2-amino-3-(β-D-glucopyranosyloxy)-γ-oxobenzenebutanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 61 percent / Hg(CN)2, K₂CO₃ / acetonitrile / 4 h / Ambient temperature

2: 63 percent / H₂ / PtO₂ / ethanol; ethyl acetate / 12 h / 760 Torr

3: EtONa / ethanol / 2 h / Ambient temperature

4: NaOH / H₂O / 4 h / Ambient temperature

With sodium hydroxide; hydrogen; sodium ethanolate; mercury(II) cyanide; potassium carbonate; platinum(IV) oxide; In ethanol; water; ethyl acetate; acetonitrile;
DOI:10.1021/jo982321n

Reference yield:

: 224044-67-1
methyl (E)-4-oxo-4-(3-hydroxy-2-nitrophenyl)-2-butenoate

: 4-[2-Amino-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-4-oxo-butyric acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 61 percent / Hg(CN)2, K₂CO₃ / acetonitrile / 4 h / Ambient temperature

2: 63 percent / H₂ / PtO₂ / ethanol; ethyl acetate / 12 h / 760 Torr

3: EtONa / ethanol / 2 h / Ambient temperature

With hydrogen; sodium ethanolate; mercury(II) cyanide; potassium carbonate; platinum(IV) oxide; In ethanol; ethyl acetate; acetonitrile;
DOI:10.1021/jo982321n