3-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid

Base Information

Chemical Name:3-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid
CAS No.:1284376-94-8
Molecular Formula:C₁₁H₁₁NO₅
Molecular Weight:237.212
Hs Code.:2918300090
DSSTox Substance ID:DTXSID00605453

Synonyms:3-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid;1284376-94-8;SCHEMBL11631320;DTXSID00605453;AKOS010910517;3-Methyl-4-(4-nitrophenyl)-4-oxobutanoicacid

Suppliers and Price of 3-Methyl-4-(4-nitrophenyl)-4-oxobutanoic 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

Crysdot
3-Methyl-4-(4-nitrophenyl)-4-oxobutanoicacid 95+%
1g
$ 581.00

Total 3 raw suppliers

Chemical Property of 3-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid

Chemical Property:

Boiling Point:440.7±25.0 °C(Predicted)
PSA：100.19000
Density:1.337±0.06 g/cm3(Predicted)
LogP:2.41150
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:237.06372245
Heavy Atom Count:17
Complexity:314

Purity/Quality:

≥99% ^*data from raw suppliers

3-Methyl-4-(4-nitrophenyl)-4-oxobutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-4-(4-nitrophenyl)-4-oxobutanoic acid

There total 5 articles about 3-Methyl-4-(4-nitrophenyl)-4-oxobutanoic 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:

: C₁₆H₁₉NO₇

: 1284376-94-8
C₁₁H₁₁NO₅

Guidance literature:: With sodium hydroxide; In ethanol; at 67 ℃; for 28h; Temperature; Large scale;

Reference yield:

: 62-23-7
4-nitro-benzoic acid

: 1284376-94-8
C₁₁H₁₁NO₅

Guidance literature:: Multi-step reaction with 5 steps

1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 34 h / 26 °C / Large scale

2: sodium ethanolate / N,N-dimethyl-formamide / 15.5 h / -5 - 0 °C / Large scale

3: ethanol / 16 h / 52 °C / Large scale

4: sodium ethanolate / N,N-dimethyl-formamide / 14 h / 16 °C / Large scale

5: sodium hydroxide / ethanol / 28 h / 67 °C / Large scale

With dmap; sodium ethanolate; dicyclohexyl-carbodiimide; sodium hydroxide; In ethanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

: 112378-39-9
2,2-dimethyl-5-(4-nitrobenzoyl)-1,3-dioxane-4,6-dione

: 1284376-94-8
C₁₁H₁₁NO₅

Guidance literature:: Multi-step reaction with 4 steps

1: sodium ethanolate / N,N-dimethyl-formamide / 15.5 h / -5 - 0 °C / Large scale

2: ethanol / 16 h / 52 °C / Large scale

3: sodium ethanolate / N,N-dimethyl-formamide / 14 h / 16 °C / Large scale

4: sodium hydroxide / ethanol / 28 h / 67 °C / Large scale

With sodium ethanolate; sodium hydroxide; In ethanol; N,N-dimethyl-formamide;