2-Amino Nevirapine

Base Information

• Chemical Name: 2-Amino Nevirapine
• CAS No.: 284686-15-3
• Molecular Formula: C15H15N5O
• Molecular Weight: 281.31
• DSSTox Substance ID: DTXSID40445491
• Wikidata: Q82263920
• Mol file: 284686-15-3.mol

Synonyms:2-Amino Nevirapine;284686-15-3;2-AminoNevirapine-d3;5-amino-2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1346605-12-6;2-Amino-11-cyclopropyl-5;SCHEMBL8887408;DTXSID40445491;2-Amino-11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one;FT-0661959;J-017100

Chemical Property of 2-Amino Nevirapine

Chemical Property:

• Boiling Point: 480.8±45.0 °C(Predicted)
• PKA: 11.67±0.20(Predicted)
• PSA: 90.58000
• Density: 1.411±0.06 g/cm3(Predicted)
• LogP: 2.40290
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMF (Very Slightly, Heated), DMSO (Very Slightly, Heated)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 281.12766012
• Heavy Atom Count: 21
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

2-Amino Nevirapine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC2=C1NC(=O)C3=C(N2C4CC4)N=CC=C3)N
• Uses: Intermediate in the preparation of Nevirapine metabolites.

Technology Process of 2-Amino Nevirapine

There total 5 articles about 2-Amino Nevirapine 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: 86.0%

11-cyclopropyl-5,11-dihydro-4-methyl-3-nitro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one (284686-16-4) → 2-amino-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one (284686-15-3)

Guidance literature:

With hydrogenchloride; acetic acid; tin(ll) chloride; at 20 ℃;

DOI:10.1002/jhet.5570370203

Reference yield:

5,11-dihydro-2-(4'-methoxybenzylamino)-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one (284686-14-2) → 2-amino-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one (284686-15-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 4h; under 1292.87 Torr;

DOI:10.1002/jhet.5570370203

Reference yield:

2-chloro-11-cyclopropyl-6H-dipyrido<3,2-b:2',3'-e><1,4>diazepine-6-one (135575-99-4) → 2-amino-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one (284686-15-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / 48 h / 180 °C

2: 20 mg / H₂ / 10 percent Pd/C / ethanol / 4 h / 1292.87 Torr

With hydrogen; palladium on activated charcoal; In ethanol; 1: Addition / 2: Reduction;

DOI:10.1002/jhet.5570370203

upstream raw materials:

11-cyclopropyl-5,11-dihydro-4-methyl-3-nitro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

5,11-dihydro-2-(4'-methoxybenzylamino)-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Nevirapine

2-chloro-11-cyclopropyl-6H-dipyrido<3,2-b:2',3'-e><1,4>diazepine-6-one

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