tert-Butyl (4-acetylphenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (4-acetylphenyl)carbamate
• CAS No.: 232597-42-1
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.283
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50572126
• Nikkaji Number: J1.810.949B
• Wikidata: Q82460396
• Mol file: 232597-42-1.mol

Synonyms:232597-42-1;tert-Butyl (4-acetylphenyl)carbamate;(4-ACETYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER;TERT-BUTYL N-(4-ACETYLPHENYL)CARBAMATE;tert-butyl 4-acetylphenylcarbamate;MFCD09817646;Carbamic acid, N-(4-acetylphenyl)-, 1,1-dimethylethyl ester;N-boc-4-acetylaniline;SCHEMBL5344789;DTXSID50572126;IVUDQEZQKBKXCS-UHFFFAOYSA-N;N-t-butoxycarbonyl-4-acetylaniline;tert-Butyl?4-acetylphenylcarbamate;BCP31034;tert-Butyl(4-acetylphenyl)carbamate;AB3281;AKOS010226615;AB52652;BS-22082;SY240319;1,1-dimethylethyl (4-acetylphenyl)carbamate;CS-0155090;(4-Acetylphenyl)carbamic acid tert-butyl ester;EN300-748739;A849976;4 inverted exclamation mark -(Boc-amino)acetophenone;J-501347;Tert-Butyl (4-acetylphenyl)carbamate

Chemical Property of tert-Butyl (4-acetylphenyl)carbamate

Chemical Property:

• Melting Point: 137-138 °C
• Boiling Point: 314.7±25.0 °C(Predicted)
• PKA: 13.33±0.70(Predicted)
• PSA: 55.40000
• Density: 1.120±0.06 g/cm3(Predicted)
• LogP: 3.30920
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)OC(C)(C)C
• Uses: Is used in preparation of acyl hydrazone linkers for the treatment and/or diagnosis of cancer.

Technology Process of tert-Butyl (4-acetylphenyl)carbamate

There total 14 articles about tert-Butyl (4-acetylphenyl)carbamate 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: 100.0%

2-methyl-2-(4-N-tert-butoxycarbonylphenyl)-1,3-dithiane → tert-butyl 4-acetylphenylcarbamate (232597-42-1)

Guidance literature:

With dihydrogen peroxide; iodine; sodium dodecyl-sulfate; In water; at 20 ℃; for 1.5h; Micellar solution;

DOI:10.1055/s-0028-1088023

Reference yield: 100.0%

tert-butyl 4-acetylphenyl(3-perfluorooctylpropoxy)carbamate (1239374-09-4) → tert-butyl 4-acetylphenylcarbamate (232597-42-1)

Guidance literature:

With methanol; tris(propionitrile)tricarbonylmolybdenum⁽⁰⁾; at 130 ℃; for 0.25h; chemoselective reaction; Microwave irradiation; Inert atmosphere;

DOI:10.1002/ejoc.201000367

Reference yield: 98.8%

di-tert-butyl dicarbonate (24424-99-5) + p-aminobenzophenone (99-92-3) → tert-butyl 4-acetylphenylcarbamate (232597-42-1)

Guidance literature:

In 1,4-dioxane; at 100 ℃; for 5h;

DOI:10.1021/jo4002307

upstream raw materials:

di-tert-butyl dicarbonate

p-aminobenzophenone

tert-butyl 1-(4-acetylphenyl)hydrazinecarboxylate

4-acetylphenyl isocyanate

Downstream raw materials:

1-{4-[(1,1-dimethylethoxy)carbonylamino]phenyl}-1-methyl-2-propen-1-ol

tert-butyl trimethylsilyl (4-{1-[(trimethylsilyl)-oxy]-vinyl}-phenyl) carbamate

N-t-butoxycarbonyl-4-[(1-benzyl-4-hydroxypiperidin-4-yl)acetyl]aniline

N-t-butoxycarbonyl-4-[4-(1-benzylpiperidin-4-yl)-3-hydroxybutanoyl]aniline