2-amino-N-butylbenzamide

Base Information

• Chemical Name: 2-amino-N-butylbenzamide
• CAS No.: 10494-82-3
• Molecular Formula: C11H16 N2 O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• NSC Number: 88051
• DSSTox Substance ID: DTXSID80293251
• Wikidata: Q82031920
• ChEMBL ID: CHEMBL2263375
• Mol file: 10494-82-3.mol

Synonyms:2-amino-N-butylbenzamide;10494-82-3;2-Amino-N-butyl-benzamide;NSC88051;SCHEMBL5674955;CHEMBL2263375;DTXSID80293251;MFCD00456225;NSC 88051;NSC-88051;STK889345;AKOS000161424;NCGC00327258-01;LS-04051;CS-0297695;EN300-86606;E85538;AB00628891-03

Chemical Property of 2-amino-N-butylbenzamide

Chemical Property:

• Vapor Pressure: 8.45E-06mmHg at 25°C
• Boiling Point: 374.3°Cat760mmHg
• Flash Point: 180.1°C
• PSA: 55.12000
• Density: 1.058g/cm³
• LogP: 2.77080
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Amino-N-butylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)C1=CC=CC=C1N

Technology Process of 2-amino-N-butylbenzamide

There total 11 articles about 2-amino-N-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: 100.0%

N-butyl-2-nitrobenzamide (79903-04-1) → 2-amino-N-butylbenzamide (10494-82-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 16h;

Reference yield: 95.0%

isatoic anhydride (118-48-9) + N-butylamine (109-73-9,85404-21-3) → 2-amino-N-butylbenzamide (10494-82-3)

Guidance literature:

In ethyl acetate; at 20 ℃; for 5h;

DOI:10.17344/acsi.2020.4748

Reference yield: 83.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + N-butylamine (109-73-9,85404-21-3) → 2-amino-N-butylbenzamide (10494-82-3)

Guidance literature:

With ammonium hydroxide; dihydrogen peroxide; In dimethyl sulfoxide; at 20 - 30 ℃; for 4h; Sealed tube;

DOI:10.1016/j.tet.2019.01.067

upstream raw materials:

N-butyl-2-nitrobenzamide

isatoic anhydride

N-butylamine

anthranilic acid

Downstream raw materials:

N-butyl-2-(2-chloro-2-phenylacetamido)benzamide

3-butyl-2-[2-(3-hydroxybenzylidene)hydrazinyl]quinazolin-4(3H)-one

3-butyl-2-{2-[4-(dimethylamino)benzylidene]hydrazinyl}quinazolin-4(3H)-one

3-butyl-2-[2-(3-nitrobenzylidene)hydrazinyl]quinazolin-4(3H)-one

Refernces

• 1、 Rayatzadeh, Ayeh,Haghipour, Sirous. "Efficient synthesis of 6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione derivatives catalyzed by functionalized nanoporous silica". . p. 103 - 107. Retrieved 2021.
• 2、 Mondal, Debasmita,Pal, Gargi,Chowdhury, Chinmay. "Palladium(0)-catalysed regioselective cyclisations of 2-amino(tosyl) benzamides/sulphonamides: The stereoselective synthesis of 3-ylidene-[1,4]benzodiazepin-5-ones/benzo[f][1,2,5]thiadiazepine-1,1-dioxides". . p. 5462 - 5465. Retrieved 2021.
• 3、 Mahdavi, Mohammad,Pedrood, Keyvan,Safavi, Maliheh,Saeedi, Mina,Pordeli, Mahboobeh,Ardestani, Sussan Kabudanian,Emami, Saeed,Adib, Mehdi,Foroumadi, Alireza,Shafiee, Abbas. "Synthesis and anticancer activity of N -substituted 2-arylquinazolinones bearing trans -stilbene scaffold". . p. 492 - 499. Retrieved 2015.
• 4、 Ghorbani-Choghamarani, Arash,Taherinia, Zahra,Nikoorazm, Mohsen. "Ionic liquid supported on magnetic nanoparticles as a novel reusable nanocatalyst for the efficient synthesis of tetracyclic quinazoline compounds". . p. 6591 - 6604. Retrieved 2018.
• 5、 Teng, Fan,Yu, Ting,Peng, Yan,Hu, Weiming,Hu, Huaanzi,He, Yimiao,Luo, Shuang,Zhu, Qiang. "Palladium-catalyzed atroposelective coupling-cyclization of 2-isocyanobenzamides to construct axially chiral 2-aryl- And 2,3-diarylquinazolinones". supporting information. p. 2722 - 2728. Retrieved 2021/03/01.