4-Butylbenzamide

Base Information

• Chemical Name: 4-Butylbenzamide
• CAS No.: 107377-07-1
• Molecular Formula: C11H15NO
• Molecular Weight: 177.246
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00384251
• Nikkaji Number: J3.523.991J
• Wikidata: Q82176238
• Mol file: 107377-07-1.mol

Synonyms:4-butylbenzamide;107377-07-1;4-n-butylbenzamide;Benzamide, 4-butyl-;p-Butylbenzamid;Benzamide,4-butyl-;SCHEMBL607614;DTXSID00384251;KFINRIKJBULSTD-UHFFFAOYSA-N;MFCD00221466;STK014926;AKOS005377490;AS-56808;FT-0617941;J3.523.991J;A801685

Chemical Property of 4-Butylbenzamide

Chemical Property:

• Vapor Pressure: 0.000622mmHg at 25°C
• Melting Point: 127 °C
• Refractive Index: 1.533
• Boiling Point: 309.9 °C at 760 mmHg
• PKA: 16.20±0.50(Predicted)
• Flash Point: 141.2 °C
• PSA: 43.09000
• Density: 1.018 g/cm³
• LogP: 2.82840
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

4-BUTYLBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)N

Technology Process of 4-Butylbenzamide

There total 7 articles about 4-Butylbenzamide 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: 99.0%

ammonium hydroxide (1336-21-6) + 4-butylbenzoyl chloride (28788-62-7) → 4-n-butylbenzamide (107377-07-1)

Guidance literature:

Reference yield: 93.0%

→ 4-n-butylbenzamide (107377-07-1)

Guidance literature:

With tetrabutylammomium bromide; ammonia; caesium carbonate; In water; for 0.333333h; Microwave irradiation;

Reference yield: 91.0%

(4-butylphenyl)acetylene (79887-09-5) → 4-n-butylbenzamide (107377-07-1)

Guidance literature:

With ammonia; dihydrogen peroxide; iodine; In water; dimethyl sulfoxide; at 20 ℃; for 3h; Irradiation;

DOI:10.1002/adsc.201500906

upstream raw materials:

4-butylbenzoyl chloride

4-butyl benzoic acid

ammonium hydroxide

1-(4-butylphenyl)ethanone

Downstream raw materials:

2-(1-(2-(4-butylphenyl)-4-methylthiazol-5-yl)ethylidene)hydrazinecarboximidamide

1-(2-(4-butylphenyl)-4-methylthiazol-5-yl)ethanone

4-n-butylthiobenzamide

4-n-butylbenzylamine

Refernces

• 1、 -. "Method for preparing derivatives of benzamide under microwave condition in aqueous phase". Paragraph 0018; 0092. . Retrieved 2019/03/28.
• 2、 Suresh,Baburajan, Poongavanam,Ahmed, Mansur. "Synthesis of primary amides by aminocarbonylation of aryl/hetero halides using non-gaseous NH3 and CO sources". supporting information. p. 4864 - 4867. Retrieved 2015/07/28.