N-(3-tert-butylphenyl)acetamide

Base Information

• Chemical Name: N-(3-tert-butylphenyl)acetamide
• CAS No.: 38382-35-3
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• DSSTox Substance ID: DTXSID60369403
• Wikidata: Q82156466
• Mol file: 38382-35-3.mol

Synonyms:N-(3-tert-butylphenyl)acetamide;38382-35-3;N-(3-(tert-Butyl)phenyl)acetamide;Maybridge3_005195;SCHEMBL1689404;DTXSID60369403;HMS1445M03;CCG-1815;AKOS006274498;IDI1_016582;CS-0367723;AG-670/03144064;SR-01000639011-1

Chemical Property of N-(3-tert-butylphenyl)acetamide

Chemical Property:

• Melting Point: 93-94.5 °C
• Boiling Point: 327.2±21.0 °C(Predicted)
• PKA: 15.12±0.70(Predicted)
• PSA: 32.59000
• Density: 1.010±0.06 g/cm3(Predicted)
• LogP: 3.59200
• 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: 205

Purity/Quality:

99% ^*data from raw suppliers

N-(3-tert-Butyl-phenyl)-acetamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=CC(=C1)C(C)(C)C

Technology Process of N-(3-tert-butylphenyl)acetamide

There total 7 articles about N-(3-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: 61.0%

1-[3-(tert-butyl)phenyl]-5-methyl-1H-pyrazole → N-[3-(tert-butyl)phenyl]acetamide (38382-35-3)

Guidance literature:

1-[3-(tert-butyl)phenyl]-5-methyl-1H-pyrazole; With ozone; In dichloromethane; at -78 ℃; for 0.5h;

With methanol; sodium tetrahydroborate; In dichloromethane; at 23 ℃; for 16h;

DOI:10.1002/anie.202007144

Reference yield: 58.0%

C11H13N → N-[3-(tert-butyl)phenyl]acetamide (38382-35-3)

Guidance literature:

With ferrocene; In 1,2-dichloro-ethane; at 85 ℃; for 12h; Sealed tube;

DOI:10.1002/adsc.201700953

Reference yield: 31.0%

tertiary butyl chloride (507-20-0) + Acetanilid (103-84-4) → N-[3-(tert-butyl)phenyl]acetamide (38382-35-3) + 4-tert-butylacetanilide (20330-45-4) + 3,5-di-tert-butylacetanilide (37055-54-2)

Guidance literature:

aluminium trichloride; In carbon disulfide; 1.5 h, then 50 min reflux;

DOI:10.1021/jo00178a016

upstream raw materials:

3-tert-butylaniline

acetic anhydride

pivaloyl chloride

Acetanilid

Downstream raw materials:

5-tert-butyl-2-chlorophenylamine

4-(tert-butyl)-1,2-diaminobenzene

5-(tert-butyl)-2-nitroaniline

Acetyl-(3-tert-butyl-phenyl)-carbamic acid tert-butyl ester

Refernces

• 1、 Zhang, Xinglu,Liu, Zhiqiang,Gao, Yu,Li, Feng,Tian, Yaming,Li, Chunju,Jia, Xueshun,Li, Jian. "Selective Oxidative Coupling Reaction of Isocyanides Using Peroxide as Switchable Alkylating and Alkoxylating Reagent". supporting information. p. 272 - 277. Retrieved 2017/11/13.
• 2、 Maslak, Przemyslaw,Fanwick, Phillip E.,Guthrie, Robert D.. "Aluminum Chloride Catalyzed Reaction of Acetanilide with Pivalyl Chloride". . p. 655 - 659. Retrieved 2007/10/02.