N-(4-Butoxyphenyl)acetamide

Base Information

• Chemical Name: N-(4-Butoxyphenyl)acetamide
• CAS No.: 23563-26-0
• Molecular Formula: C12H17 N O2
• Molecular Weight: 207.272
• Hs Code.: 29242998
• European Community (EC) Number: 245-739-1
• DSSTox Substance ID: DTXSID9066910
• Nikkaji Number: J229.001D
• Wikidata: Q81993491
• ChEMBL ID: CHEMBL4568062
• Mol file: 23563-26-0.mol

Synonyms:N-(4-Butoxyphenyl)acetamide;23563-26-0;Acetamide, N-(4-butoxyphenyl)-;EINECS 245-739-1;O-Butyl paracetamol;4'-butoxyacetanilide;SCHEMBL3223930;CHEMBL4568062;DTXSID9066910;YAA56326;MFCD00027197;STL065495;AKOS000499518;AS-80729;CS-0328267;FT-0638332

Chemical Property of N-(4-Butoxyphenyl)acetamide

Chemical Property:

• Vapor Pressure: 6.84E-06mmHg at 25°C
• Melting Point: 100-114 °C(lit.)
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 377.2°Cat760mmHg
• Flash Point: 182°C
• PSA: 38.33000
• Density: 1.057g/cm³
• LogP: 2.89690
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

4-Butoxyacetanilide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)NC(=O)C

Technology Process of N-(4-Butoxyphenyl)acetamide

There total 9 articles about N-(4-Butoxyphenyl)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: 86.0%

propan-2-one O-acetyl oxime (18312-45-3) + para-butoxyaniline (4344-55-2) → 4-n-butoxyacetanilide (23563-26-0)

Guidance literature:

In tert-butyl methyl ether; at 20 ℃; for 4h; Molecular sieve;

DOI:10.1016/j.molcatb.2012.07.007

Reference yield: 84.0%

n-Butyl chloride (109-69-3) + 4-acetaminophenol (103-90-2,8055-08-1) → 4-n-butoxyacetanilide (23563-26-0)

Guidance literature:

With 2,6-dimethylpyridine; tetrabutyl-ammonium chloride; potassium carbonate; In water; for 8h; Heating;

DOI:10.1246/cl.2004.940

Reference yield: 42.0%

4-bromoacetanilide (103-88-8) + butan-1-ol (71-36-3) → 4-n-butoxyacetanilide (23563-26-0)

Guidance literature:

With copper(l) iodide; N¹, N²-diphenethyloxalamide; sodium t-butanolate; In 1,4-dioxane; for 24h; Schlenk technique; Inert atmosphere; Molecular sieve; Heating;

DOI:10.1021/jacs.8b12142

upstream raw materials:

1-bromo-butane

4-acetaminophenol

1-iodo-butane

sodium 4-acetylaminophenolate

Refernces

• 1、 Chen, Zhixiang,Jiang, Yongwen,Zhang, Li,Guo, Yinlong,Ma, Dawei. "Oxalic Diamides and tert-Butoxide: Two Types of Ligands Enabling Practical Access to Alkyl Aryl Ethers via Cu-Catalyzed Coupling Reaction". supporting information. p. 3541 - 3549. Retrieved 2019/02/26.
• 2、 Hamad, Wali M.,Azeez, Hashim J.,Al-Dujaili, Ammar H.. "Synthesis and mesomorphic properties of 2,4-bis(4′-n-pentyloxybenzoyloxy)- benzylidine-4″- n-alkoxyaniline". . p. 67 - 75. Retrieved 2017/09/25.