3-Formyl Nevirapine

Base Information

Chemical Name:3-Formyl Nevirapine
CAS No.:174532-77-5
Molecular Formula:C₁₆H₁₄N₄O₂
Molecular Weight:294.313
Hs Code.:
DSSTox Substance ID:DTXSID00444844
Wikidata:Q82263120
Mol file:174532-77-5.mol

Synonyms:3-Formyl Nevirapine;174532-77-5;2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene-6-carbaldehyde;DTXSID00444844;FT-0668846

Suppliers and Price of 3-Formyl Nevirapine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
3-Formyl Nevirapine
1mg
$ 602.00

TRC
3-FormylNevirapine
5mg
$ 1210.00

Total 3 raw suppliers

Chemical Property of 3-Formyl Nevirapine

Chemical Property:

PSA：78.68000
LogP:2.34830
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:294.11167570
Heavy Atom Count:22
Complexity:467

Purity/Quality:

97% ^*data from raw suppliers

3-Formyl Nevirapine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(=NC=C1C=O)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
Uses Intermediate in the preparation of Nevirapine metabolites.

Technology Process of 3-Formyl Nevirapine

There total 11 articles about 3-Formyl 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: 47.0%

: 284686-22-2
11-cyclopropyl-5,11-dihydro-4-methyl-3-vinyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

: 174532-77-5
11-cyclopropyl-5,11-dihydro-3-formyl-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Guidance literature:: 11-cyclopropyl-5,11-dihydro-4-methyl-3-vinyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one; With ozone; In methanol; dichloromethane; at -78 ℃;

With dimethylsulfide; In methanol; dichloromethane;
DOI:10.1002/jhet.5570370203

Reference yield: 33.0%

: 1-Cyanomethyl-1-(5-cyclopropyl-11-oxo-10,11-dihydro-5H-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-9-ylmethyl)-pyrrolidinium; chloride

: 174532-77-5
11-cyclopropyl-5,11-dihydro-3-formyl-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

: 174532-78-6
6-Cyclopropyl-1-hydroxy-1,2-dihydro-6H-5,6,7,11a-tetraaza-dibenzo[cd,g]azulen-11-one

Guidance literature:: With oxalic acid; sodium amide; Yield given. Multistep reaction; 1.) liquid NH₃, -78 deg C, 2 h, 2.) THF, reflux, 1 h;
DOI:10.1002/jhet.5570320604

Reference yield:

: 23056-39-5
2-chloro-3-nitro-4-methylpyridine

: 174532-77-5
11-cyclopropyl-5,11-dihydro-3-formyl-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Guidance literature:: Multi-step reaction with 7 steps

1.1: 88 percent / xylene / 48 h / 75 °C

2.1: 55 percent / H₂ / Raney Ni / ethanol / 4 h / 2068.59 Torr

3.1: 71 percent / N,N-diisopropylethylamine / ethyl acetate / 18 h / 20 °C

4.1: 30 percent / potassium acetate; acetic acid; bromine / 1 h / 20 °C

5.1: 92.7 percent / sodium hydride; pyridine / 0.5 h / Heating

6.1: 64.9 percent / tetrakis(triphenylphosphine)palladium / dimethylformamide / 1.5 h / 90 °C

7.1: ozone / methanol; CH₂Cl₂ / -78 °C

7.2: 47 percent / dimethyl sulfide / methanol; CH₂Cl₂

With pyridine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; bromine; potassium acetate; sodium hydride; ozone; acetic acid; N-ethyl-N,N-diisopropylamine; nickel; In methanol; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; xylene; 1.1: Substitution / 2.1: Reduction / 3.1: Condensation / 4.1: Bromination / 5.1: Cyclization / 6.1: Alkylation / 7.1: Oxidation / 7.2: Hydrolysis;
DOI:10.1002/jhet.5570370203