N-(4-isopropylphenyl)acetamide

Base Information

• Chemical Name: N-(4-isopropylphenyl)acetamide
• CAS No.: 5702-74-9
• Molecular Formula: C11H15 N O
• Molecular Weight: 177.246
• NSC Number: 86664
• DSSTox Substance ID: DTXSID70972508
• Nikkaji Number: J1.414.683K
• Wikidata: Q82956282
• ChEMBL ID: CHEMBL1973841
• Mol file: 5702-74-9.mol

Synonyms:N-(4-isopropylphenyl)acetamide;5702-74-9;4-Isopropylacetanilide;N-(4-propan-2-ylphenyl)acetamide;N-(4-ISOPROPYL-PHENYL)-ACETAMIDE;4'-Isopropylacetanilide;4-Isopropyl acetanilide;N1-(4-ISOPROPYLPHENYL)ACETAMIDE;NSC86664;Maybridge1_003545;N-Acetyl-4-isopropylaniline;NCIOpen2_001029;SCHEMBL104524;CHEMBL1973841;HMS551J03;DTXSID70972508;BQZWLSZGPBNHDA-UHFFFAOYSA-N;MFCD00026406;NSC-86664;STK217311;N-[4-(propan-2-yl)phenyl]acetamide;AKOS002960124;AS-37420;N-[4-(Propan-2-yl)phenyl]ethanimidic acid;CS-0196064;FT-0629679;MLS-0463337.0001;A831286;AO-548/04413059

Chemical Property of N-(4-isopropylphenyl)acetamide

Chemical Property:

• Vapor Pressure: 3.11E-09mmHg at 25°C
• Melting Point: 101-103°C
• Boiling Point: 323.7°Cat760mmHg
• Flash Point: 191.1°C
• PSA: 29.10000
• Density: 1.026g/cm³
• LogP: 2.84140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Isopropylphenyl)acetamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(4-isopropylphenyl)acetamide

There total 20 articles about N-(4-isopropylphenyl)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-Isopropylaniline (99-88-7) + acetic anhydride (108-24-7) → N-(4-iso-propylphenyl)acetamide (5702-74-9)

Guidance literature:

In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1039/C6CC08788D

Reference yield: 98.0%

1-(4-isopropylphenyl)ethan-1-one oxime (2089-31-8) → N-(4-iso-propylphenyl)acetamide (5702-74-9)

Guidance literature:

1-(4-isopropylphenyl)ethan-1-one oxime; With fluorosulfonyl fluoride; triethylamine; In acetonitrile; at 20 ℃;

With hydrogenchloride; In water; acetonitrile; at 20 ℃;

DOI:10.1002/ejoc.201900844

Reference yield: 95.0%

vinyl acetate (108-05-4,9003-20-7) + 4-Isopropylaniline (99-88-7) → N-(4-iso-propylphenyl)acetamide (5702-74-9)

Guidance literature:

at 20 ℃; for 24h;

DOI:10.1039/c8cc00290h

upstream raw materials:

4-Isopropylaniline

acetic anhydride

(-)-cryptone oxime

sodium acetate

Downstream raw materials:

N-Acetyl-N,N-di(4-isopropylphenyl)amine

N-(2-chloro-4-isopropylphenyl)acetamide

C₁₇H₁₈ClNO

Refernces

• 1、 Kumar, Pushpendra,Patil, Shripad M.,Tandon, Nitin,Tandon, Runjhun. "Magnetically recyclable silica-coated ferrite magnetite-K10montmorillonite nanocatalyst and its applications in O, N, and S-acylation reaction under solvent-free conditions". . p. 21291 - 21300. Retrieved 2021/07/01.
• 2、 Tang, Li,Wang, Zhi-Lv,Wan, Hai-Lan,He, Yan-Hong,Guan, Zhi. "Visible-light-induced Beckmann rearrangement by organic photoredox catalysis". supporting information. p. 6182 - 6186. Retrieved 2020/09/01.