4-Nitrophenyl trimethylacetate

Base Information

• Chemical Name: 4-Nitrophenyl trimethylacetate
• CAS No.: 4195-17-9
• Molecular Formula: C11H13NO4
• Molecular Weight: 223.229
• Hs Code.: 29159000
• European Community (EC) Number: 224-076-1
• NSC Number: 254048
• UNII: 8R87749YB7
• DSSTox Substance ID: DTXSID10194707
• Nikkaji Number: J197J
• Wikidata: Q83067518
• ChEMBL ID: CHEMBL3272679
• Mol file: 4195-17-9.mol

Synonyms:4-nitrophenyl trimethylacetate;para-nitrophenyl pivalate

Chemical Property of 4-Nitrophenyl trimethylacetate

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Vapor Pressure: 0.000258mmHg at 25°C
• Melting Point: 92-95 °C (lit.)
• Refractive Index: 1.527
• Boiling Point: 323.7 °C at 760 mmHg
• Flash Point: 136.5 °C
• PSA: 72.12000
• Density: 1.184 g/cm³
• LogP: 3.06950
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

4-Nitrophenyl trimethylacetate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• Uses: 4-Nitrophenyl trimethylacetate was used as sensitive probe to study the catalytic activity of carboxypeptidase Y.

Technology Process of 4-Nitrophenyl trimethylacetate

There total 14 articles about 4-Nitrophenyl trimethylacetate 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%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + pivaloyl chloride (3282-30-2) → 4-nitrophenyl pivalate (4195-17-9)

Guidance literature:

With 4-(dimethylamino)pyridine hydrochloride; In toluene; at 110 ℃; for 8h;

DOI:10.1021/ol4030875

Reference yield: 99.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2,2-dimethylpropanoic anhydride (1538-75-6) → 4-nitrophenyl pivalate (4195-17-9)

Guidance literature:

With erbium(III) chloride; at 50 ℃; for 0.5h;

DOI:10.1071/CH06346

Reference yield: 88.0%

trimethyl(4-nitrophenoxy)silane (1014-66-0) + trimethylsilyl 2,2-dimethylpropionate (37170-49-3) → 4-nitrophenyl pivalate (4195-17-9)

Guidance literature:

With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride; In dichloromethane; for 6h; Ambient temperature;

DOI:10.1246/bcsj.66.1516

upstream raw materials:

4-nitro-phenol

pivaloyl chloride

thallium(I) 4-nitrophenoxide

Chloromethyl pivalate

Downstream raw materials:

p-nitrophenolate

4-nitro-phenol

Trimethylacetic acid

N-isopropyl-2,2-dimethylpropanamide