N-(4-tert-Butylphenyl)acetamide

Base Information

• Chemical Name: N-(4-tert-Butylphenyl)acetamide
• CAS No.: 20330-45-4
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• Hs Code.: 2924299090
• European Community (EC) Number: 633-849-6
• NSC Number: 43049
• DSSTox Substance ID: DTXSID80174238
• Nikkaji Number: J103.899K
• Wikidata: Q72510632
• Mol file: 20330-45-4.mol

Synonyms:20330-45-4;N-(4-tert-Butylphenyl)acetamide;4'-(tert-Butyl)acetanilide;N-(4-(tert-Butyl)phenyl)acetamide;p-tert-Butylacetanilide;p-t-Butylacetanilide;Acetanilide, 4'-tert-butyl-;Acetamide, N-[4-(1,1-dimethylethyl)phenyl]-;4'-tert-Butylacetanilide;N-(4-tert-butyl-phenyl)-acetamide;NSC43049;n1-[4-(tert-butyl)phenyl]acetamide;4-tert-Butylacetanilide;p-tert.-Butylacetanilid;p-tertiarybutylacetanilide;Maybridge1_006022;SCHEMBL785306;N-Acetyl-4-tert-butyl aniline;AMY773;HMS558J16;DTXSID80174238;N-(4-tert-butylphenyl)ethanamide;N-(4-tert-butylphenyl) acetamide;N-(4-tert-Butyl phenyl)acetamide;Acetamide,1-dimethylethyl)phenyl]-;1H-Indole-3-carboxylicacidhydrazide;CCG-1804;N-(4-tert-Butylphenyl)acetamide #;MFCD00043734;NSC 43049;NSC-43049;STK080219;AKOS003594699;AS-5712;CS-0207317;FT-0619487;Acetamide, N-[4-(1,1-dimethylethyl)phenyl-];A814456;AC-082/25006732;J-013219;J-523081;ACETAMIDE,N-[4-(1,1-DIMETHYLETHYL)PHENYL]-

Chemical Property of N-(4-tert-Butylphenyl)acetamide

Chemical Property:

• Vapor Pressure: 0.000139mmHg at 25°C
• Melting Point: 168-170 °C
• Refractive Index: 1.535
• Boiling Point: 333.1 °C at 760 mmHg
• PKA: 15.13±0.70(Predicted)
• Flash Point: 198.5 °C
• PSA: 29.10000
• Density: 1.01 g/cm³
• LogP: 3.01550
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

4''-(tert-Butyl)acetanilide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C(C)(C)C
• Uses: 4''-(tert-Butyl)acetanilide is a useful intermediate for organic synthesis.

Technology Process of N-(4-tert-Butylphenyl)acetamide

There total 40 articles about N-(4-tert-Butylphenyl)acetamide 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%

4-tert-Butylaniline (769-92-6) + acetic anhydride (108-24-7) → 4-tert-butylacetanilide (20330-45-4)

Guidance literature:

at 20 ℃; for 3h;

DOI:10.1039/d0ob00068j

Reference yield: 99.0%

acetamide (60-35-5) + 4-tert-butylphenyltosylate (7598-28-9) → 4-tert-butylacetanilide (20330-45-4)

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tert-butyl alcohol; at 110 ℃; for 24h;

DOI:10.1021/ja0717414

Reference yield: 96.0%

4-tert-Butylaniline (769-92-6) + potassium thioacetate (10387-40-3) → 4-tert-butylacetanilide (20330-45-4)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In ethyl acetate; at 20 ℃; for 24h; Electrochemical reaction;

DOI:10.1002/cssc.201900814

upstream raw materials:

pivaloyl chloride

Acetanilid

4-tert-Butylaniline

acetic anhydride

Downstream raw materials:

1-tert-butyl-5-chloro-2,4-dinitro-benzene

N-(2-tert-butyl-4,6-dimethylphenyl)-N-(4-tert-butylphenyl)acetamide

N-(4-Nitrophenyl)acetamide

N-(4-(tert-butyl)-2-nitrophenyl)acetamide

Refernces

• 1、 Swain,Rogers. "". . p. 799. Retrieved 1975.
• 2、 -. "Method for promoting acylation of amine or alcohol by carbon dioxide". Paragraph 0033-0034. . Retrieved 2021/05/29.
• 3、 Breising, Valentina M.,Kayser, Jacob M.,Kehl, Anton,Schollmeyer, Dieter,Liermann, Johannes C.,Waldvogel, Siegfried R.. "Electrochemical formation of: N, N ′-diarylhydrazines by dehydrogenative N-N homocoupling reaction". supporting information. p. 4348 - 4351. Retrieved 2020/04/27.