4-Hexyloxybenzamide

Base Information

• Chemical Name: 4-Hexyloxybenzamide
• CAS No.: 101772-33-2
• Molecular Formula: C13H19 N O2
• Molecular Weight: 221.299
• DSSTox Substance ID: DTXSID70333716
• Nikkaji Number: J3.514.413G
• Wikidata: Q82099197
• Mol file: 101772-33-2.mol

Synonyms:4-HEXYLOXYBENZAMIDE;4-hexoxybenzamide;101772-33-2;Benzamide,4-(hexyloxy)-;Benzamide,p-(n-hexyloxy)-;4-(HEXYLOXY)BENZAMIDE;SCHEMBL3952371;DTXSID70333716;AKOS003475635;J3.514.413G

Chemical Property of 4-Hexyloxybenzamide

Chemical Property:

• PSA: 52.32000
• LogP: 3.44490
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)N

Technology Process of 4-Hexyloxybenzamide

There total 6 articles about 4-Hexyloxybenzamide 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: 75.0%

p-bromobenzamide (698-67-9) + hexan-1-ol (111-27-3) → 4-(hexyloxy)benzamide (101772-33-2)

Guidance literature:

With tetrabutylammomium bromide; Ni(dtbbpy)₃Cl₂; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl acetamide; at 20 ℃; for 12h; chemoselective reaction; Inert atmosphere; Electrochemical reaction; Molecular sieve; Sealed tube;

DOI:10.1002/anie.202107820

Reference yield: 4.0%

4-(n-hexyloxy)benzamidoxime (80641-18-5) → 1-(4-cyanophenyl)oxyhexane (66052-06-0) + 4-(hexyloxy)benzamide (101772-33-2)

Guidance literature:

With 18-crown-6 ether; In dimethyl sulfoxide; for 0.166667h; Ambient temperature;

DOI:10.1016/0040-4039(95)01242-A

Reference yield:

4-hexyloxybenzoyl chloride (39649-71-3) → 4-(hexyloxy)benzamide (101772-33-2)

Guidance literature:

With ammonium hydroxide; In 1,4-dioxane;

upstream raw materials:

4-hexyloxybenzoyl chloride

4-(n-hexyloxy)benzamidoxime

para-hexyloxybenzoic acid

4-hydroxy-benzoic acid

Downstream raw materials:

5-(4-hexyloxyphenyl)-2H-tetrazole

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