1,3-Dideaza-9-(2-hydroxy-3-nonyl)adenine

Base Information

Chemical Name:1,3-Dideaza-9-(2-hydroxy-3-nonyl)adenine
CAS No.:103298-52-8
Molecular Formula:C₁₆H₂₅N₃O
Molecular Weight:275.394
Hs Code.:
DSSTox Substance ID:DTXSID70145770
Wikidata:Q76149854
Mol file:103298-52-8.mol

Synonyms:1,3-dideaza-9-(2-hydroxy-3-nonyl)adenine;1,3-dideaza-9-(2-hydroxy-3-nonyl)adenine oxalate;1,3-dideaza-EHNA;1,3-dideaza-erythro-9-(2-hydroxy-3-nonyl)adenine

Suppliers and Price of 1,3-Dideaza-9-(2-hydroxy-3-nonyl)adenine

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

Total 2 raw suppliers

Chemical Property of 1,3-Dideaza-9-(2-hydroxy-3-nonyl)adenine

Chemical Property:

Vapor Pressure:2.05E-09mmHg at 25°C
Boiling Point:464.2°Cat760mmHg
Flash Point:234.5°C
PSA：64.07000
Density:1.14g/cm³
LogP:4.09200
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:275.199762429
Heavy Atom Count:20
Complexity:287

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC(C(C)O)N1C=NC2=C(C=CC=C21)N
Isomeric SMILES:CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C(C=CC=C21)N

Technology Process of 1,3-Dideaza-9-(2-hydroxy-3-nonyl)adenine

There total 4 articles about 1,3-Dideaza-9-(2-hydroxy-3-nonyl)adenine 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: 70.0%

: formamidine acetate

: 111209-69-9
erythro-1-<(2-hydroxy-3-nonyl)amino>-2,3-diaminobenzene

: 103298-52-8
erythro-9-(2-hydroxy-3-nonyl)-1,3-dideazaadenine

Guidance literature:: at 150 ℃; for 0.333333h;
DOI:10.1021/jm00397a021

Reference yield:

: 602-03-9
2,3-dinitroaniline

: 103298-52-8
erythro-9-(2-hydroxy-3-nonyl)-1,3-dideazaadenine

Guidance literature:: Multi-step reaction with 4 steps

1: 63 percent / nitrosylfuric acid / 0.17 h / 60 °C

2: 40 percent / Et₃N / nitromethane / 3 h / Heating

3: 67 percent / H₂ / Raney-Ni / ethanol / 4 h / 17065.9 Torr

4: 70 percent / 0.33 h / 150 °C

With nitrosylsulfuric acid; hydrogen; triethylamine; nickel; In nitromethane; ethanol;
DOI:10.1021/jm00397a021

Reference yield:

: 602-02-8
2,3-dinitrochlorobenzene

: 103298-52-8
erythro-9-(2-hydroxy-3-nonyl)-1,3-dideazaadenine

Guidance literature:: Multi-step reaction with 3 steps

1: 40 percent / Et₃N / nitromethane / 3 h / Heating

2: 67 percent / H₂ / Raney-Ni / ethanol / 4 h / 17065.9 Torr

3: 70 percent / 0.33 h / 150 °C

With hydrogen; triethylamine; nickel; In nitromethane; ethanol;
DOI:10.1021/jm00397a021