Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate
• CAS No.: 926927-42-6
• Molecular Formula: C₁₅H₁₃F₅N₂O₂
• Molecular Weight: 348.272
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60580454
• Mol file: 926927-42-6.mol

Synonyms:926927-42-6;Toll-like receptor modulator;Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate;ethyl 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-3H-1-benzazepine-4-carboxylate;ETHYL 2-AMINO-8-(PENTAFLUOROETHYL)-3H-1-BENZAZEPINE-4-CARBOXYLATE;CS-0290;SCHEMBL1104739;DTXSID60580454;AKOS016004380;NCGC00378688-01;HY-10018;MS-25357;F83528;A909948;(1E,4E)-ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate

Chemical Property of Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate

Chemical Property:

• Boiling Point: 403 °C at 760 mmHg
• Flash Point: 197.5 °C
• PSA: 64.68000
• Density: 1.41 g/cm³
• LogP: 3.81550
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 348.08971847
• Heavy Atom Count: 24
• Complexity: 557

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-?Amino-?8-?(perfluoroethyl)?-?3H-?benzo[b]?azepine-?4-?carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(C=C(C=C2)C(C(F)(F)F)(F)F)N=C(C1)N
• Uses: Ethyl 2-?Amino-?8-?(perfluoroethyl)?-?3H-?benzo[b]?azepine-?4-?carboxylate is used in as a toll-like 7/8 receptor modulator which is usedful in the treatment of inflammation and autoimmune diseases.

Technology Process of Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate

There total 1 articles about Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate 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: 74.0%

(E)-ethyl 2-(cyanomethyl)-3-(2-nitro-4-(perfluoroethyl)phenyl)acrylate → (1E,4E)-ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate (926927-42-6)

Guidance literature:

(E)-ethyl 2-(cyanomethyl)-3-(2-nitro-4-(perfluoroethyl)phenyl)acrylate; With iron; acetic acid; at 90 ℃; for 5h;

With potassium carbonate; In water; ethyl acetate;

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