2-amino-N-(prop-2-yn-1-yl)benzamide

Base Information

• Chemical Name: 2-amino-N-(prop-2-yn-1-yl)benzamide
• CAS No.: 4943-83-3
• Molecular Formula: C10H10 N2 O
• Molecular Weight: 174.202
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID20377443
• Nikkaji Number: J384.683K
• Wikidata: Q82166659
• Mol file: 4943-83-3.mol

Synonyms:2-amino-N-(prop-2-yn-1-yl)benzamide;4943-83-3;2-amino-N-(2-propynyl)benzenecarboxamide;2-amino-N-prop-2-ynylbenzamide;2-amino-N-propargylbenzamide;SCHEMBL2061427;DTXSID20377443;2-amino-N-prop-2-ynyl-benzamide;N-(2-Propynyl)-2-aminobenzamide;PTBKEYHFNHZYAW-UHFFFAOYSA-N;MFCD03425820;AKOS001124402;CS-0252049;FT-0680683;EN300-58287;8T-0307;A918217;J-508053;2-amino-N-(2-propynyl)benzenecarboxamide, AldrichCPR;Z94602256

Chemical Property of 2-amino-N-(prop-2-yn-1-yl)benzamide

Chemical Property:

• Vapor Pressure: 6.27E-06mmHg at 25°C
• Melting Point: 100-101°C
• Boiling Point: 378.5°Cat760mmHg
• Flash Point: 182.7°C
• Density: 1.17g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-N-(2-propynyl)benzenecarboxamide ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

Useful:

• Canonical SMILES: C#CCNC(=O)C1=CC=CC=C1N

Technology Process of 2-amino-N-(prop-2-yn-1-yl)benzamide

There total 9 articles about 2-amino-N-(prop-2-yn-1-yl)benzamide 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%

isatoic anhydride (118-48-9) + Propargylamine (2450-71-7) → 2-amino-N-(prop-2-yn-1-yl)benzamide (4943-83-3)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1016/j.bmcl.2010.11.045

Reference yield: 99.0%

2-nitro-N-(prop-2-ynyl)benzamide (53007-15-1) → 2-amino-N-(prop-2-yn-1-yl)benzamide (4943-83-3)

Guidance literature:

With Al/Hg amalgam; In diethyl ether; ethanol; water; at 20 ℃; for 2h;

DOI:10.1002/cmdc.201200060

Reference yield: 89.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + Propargylamine (2450-71-7) → 2-amino-N-(prop-2-yn-1-yl)benzamide (4943-83-3)

Guidance literature:

With dmap; benzotriazol-1-ol; diisopropyl-carbodiimide; In N,N-dimethyl-formamide; at 20 ℃; for 10h; Inert atmosphere;

DOI:10.1016/j.tet.2016.11.074

upstream raw materials:

isatoic anhydride

Propargylamine

2-(4-hydroxy-phenylazo)-N-(prop-2-ynyl)benzamide

2-nitro-N-(prop-2-ynyl)benzamide

Downstream raw materials:

16a-phenyl-16,16a-dihydrobenzo[5,6][1,2,3]triazolo[5',1':3,4][1,4]diazepino[7,1-b]quinazolin-11(9H)-one

C₂₃H₁₆ClN₅O

3-(prop-2-yn-1-yl)quinazolin-4(3H)-one

Refernces

• 1、 Moghimi, Setareh,Goli-Garmroodi, Fereshteh,Pilali, Hedieh,Mahdavi, Mohammad,Firoozpour, Loghman,Nadri, Hamid,Moradi, Alireza,Asadipour, Ali,Shafiee, Abbas,Foroumadi, Alireza. "Synthesis and anti-acetylcholinesterase activity of benzotriazinone-triazole systems". . p. 1445 - 1449. Retrieved 2016.
• 2、 -. "Quinazolinone [2, 3 - a] carboline derivative as well as preparation method and application thereof". Paragraph 0054-0057; 0141-0144. . Retrieved 2021/10/11.
• 3、 Black, David StC,Das, Theerthankar,Kumar, Naresh,Rice, Scott A.,Sabir, Shekh,Subramoni, Sujatha. "Design, Synthesis and Biological Evaluation of Novel Anthraniloyl-AMP Mimics as PQS Biosynthesis Inhibitors against Pseudomonas aeruginosa Resistance". . . Retrieved 2020/07/25.