[2-[(9-Ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

Base Information

• Chemical Name: [2-[(9-Ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
• CAS No.: 6576-40-5
• Molecular Formula: C25H28N2O3
• Molecular Weight: 404.5014
• DSSTox Substance ID: DTXSID90412537
• Mol file: 6576-40-5.mol

Synonyms:6576-40-5;[2-[(9-Ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate;Oprea1_590640;DTXSID90412537;AKOS007948208;Z18773108;T0508-9530

Chemical Property of [2-[(9-Ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

Chemical Property:

• Vapor Pressure: 7.77E-14mmHg at 25°C
• Boiling Point: 588.7°C at 760 mmHg
• Flash Point: 309.8°C
• Density: 1.31g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 404.20999276
• Heavy Atom Count: 30
• Complexity: 652

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)CC3CC4CCC3C4)C5=CC=CC=C51

Technology Process of [2-[(9-Ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

There total 5 articles about [2-[(9-Ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate 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:

N-(5-{[(3-amino-3-iminopropyl)amino]-carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-nitro-1H-pyrrole-2-carboxamide (23999-80-6) → 1-methyl-4-(1-methyl-4-aminopyrrole-2-carboxamido)-pyrrole-2-carboxamidopropionamidine (6576-40-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 12h; under 760 Torr; Ambient temperature;

DOI:10.1016/0223-5234(91)90143-B

Reference yield:

N-(3-amino-3-iminopropyl)-1-methyl-4-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrole-2-carboxamide hydrochloride (14555-80-7) → 1-methyl-4-(1-methyl-4-aminopyrrole-2-carboxamido)-pyrrole-2-carboxamidopropionamidine (6576-40-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In isopropyl alcohol; at 20 ℃;

DOI:10.1016/S0040-4020(00)00432-4

Reference yield:

3-<1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxamido>propiononitrile (3185-94-2) → 1-methyl-4-(1-methyl-4-aminopyrrole-2-carboxamido)-pyrrole-2-carboxamidopropionamidine (6576-40-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 99 percent / HCl(g) / 3 h / 20 °C

2: 74 percent / NH₃ / ethanol / -78 - 20 °C

3: H₂ / Pd/C / propan-2-ol / 20 °C

With hydrogenchloride; ammonia; hydrogen; palladium on activated charcoal; In ethanol; isopropyl alcohol; 1: Addition / 2: Substitution / 3: Reduction;

DOI:10.1016/S0040-4020(00)00432-4

upstream raw materials:

N-(5-{[(3-amino-3-iminopropyl)amino]-carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-nitro-1H-pyrrole-2-carboxamide

N-(3-amino-3-iminopropyl)-1-methyl-4-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrole-2-carboxamide hydrochloride

3-<1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxamido>propiononitrile