N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide

Base Information

• Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide
• CAS No.: 5533-73-3
• Molecular Formula: C14H19NO3
• Molecular Weight: 221.261
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00357905
• Nikkaji Number: J2.976.972I
• Wikidata: Q82138091
• ChEMBL ID: CHEMBL1707905
• Mol file: 5533-73-3.mol

Synonyms:N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide;5533-73-3;SMR000111546;CBMicro_029485;Cambridge id 5533733;Oprea1_192599;MLS000107174;SCHEMBL7838949;CHEMBL1707905;DTXSID00357905;HMS2499A08;STK411459;AKOS003032656;BIM-0029460.P001;AB00087732-01;AK-968/11368838;SR-01000211778;SR-01000211778-1

Chemical Property of N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide

Chemical Property:

• Vapor Pressure: 3.1E-08mmHg at 25°C
• Melting Point: 133-135 °C
• Boiling Point: 448.4°Cat760mmHg
• PKA: 8.07±0.70(Predicted)
• Flash Point: 225°C
• PSA: 51.05000
• Density: 1.14g/cm³
• LogP: 2.61280
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 249.13649347
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]CYCLOPROPANECARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCNC(=O)C2CC2)OC

Technology Process of N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide

There total 29 articles about N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide 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: 95.0%

α-nitro-stilbene (15341-31-8,18315-83-8,82864-83-3,1215-07-2) → 4,5-Diphenyl-1H-[1,2,3]triazole (5533-73-3)

Guidance literature:

With sodium azide; toluene-4-sulfonic acid; In N,N-dimethyl-formamide; at 60 ℃; for 1h;

DOI:10.1021/ol503621y

Reference yield: 95.0%

4,5-diphenyl-1-[2-(toluene-4-sulfonyl)-ethyl]-1H-[1,2,3]triazole (889095-93-6) → 4,5-Diphenyl-1H-[1,2,3]triazole (5533-73-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -78 - 0 ℃;

DOI:10.1016/j.tetlet.2006.03.020

Reference yield: 72.5%

C15H16N2O3S → 4,5-Diphenyl-1H-[1,2,3]triazole (5533-73-3)

Guidance literature:

With sodium bromate; ammonia; sodium hydrogensulfite; In tetrachloromethane; at 100 ℃; for 1h;

upstream raw materials:

1-amino-4,5-diphenyl-1,2,3-triazole

2,3-Diphenylthiirene 1,1-dioxide

1-(1,2-diphenyl-vinyl)-pyrrolidine

diphenyl phosphoryl azide

Downstream raw materials:

2-(9-Hydroxynonyl)-4,5-diphenyl-1,2,3-triazole

2-(6-Ethoxycarbonylhexyl)-4,5-diphenyl-1,2,3-triazole

1-(8-Bromooctyl)-4,5-diphenyl-1,2,3-triazole

2-(8-Bromooctyl)-4,5-diphenyl-1,2,3-triazole

Refernces

• 1、 -. "A method for the synthesis of the compounds 1, 2, 3 - triazole". Paragraph 0049; 0054-0056. . Retrieved 2019/02/08.
• 2、 Shu, Wen-Ming,Zhang, Xun-Fang,Zhang, Xiang-Xiang,Li, Min,Wang, An-Jing,Wu, An-Xin. "Metal-Free Cascade [4 + 1] Cyclization Access to 4-Aryl- NH-1,2,3-triazoles from N-Tosylhydrazones and Sodium Azide". . p. 14919 - 14925. Retrieved 2019/11/11.