7-Deaza-ehna

Base Information

• Chemical Name: 7-Deaza-ehna
• CAS No.: 103298-51-7
• Molecular Formula: C₁₅H₂₄N₄O
• Molecular Weight: 276.382
• DSSTox Substance ID: DTXSID80908318
• Mol file: 103298-51-7.mol

Synonyms:7-deaza-9-(2-hydroxy-3-nonyl)adenine;7-deaza-9-(2-hydroxy-3-nonyl)adenine oxalate;7-deaza-EHNA;7-deaza-erythro-9-(2-hydroxy-3-nonyl)adenine

Chemical Property of 7-Deaza-ehna

Chemical Property:

• Vapor Pressure: 1.53E-09mmHg at 25°C
• Boiling Point: 467.5°Cat760mmHg
• Flash Point: 236.5°C
• PSA: 76.96000
• Density: 1.2g/cm³
• LogP: 3.48700
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 276.19501140
• Heavy Atom Count: 20
• Complexity: 289

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=CC2=C(N=CN=C21)N
• Isomeric SMILES: CCCCCC[C@@H](C(C)O)N1C=CC2=C(N=CN=C21)N

Technology Process of 7-Deaza-ehna

There total 3 articles about 7-Deaza-ehna 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: 50.0%

erythro-4-chloro-7-(2-hydroxy-3-nonyl)pyrrolo<2,3-d>pyrimidine (111209-66-6) → erythro-9-(2-hydroxy-3-nonyl)-7-deazadenine (103298-51-7)

Guidance literature:

With ammonia; In methanol; at 110 ℃; for 30h;

DOI:10.1021/jm00397a021

Reference yield:

(+/-)-erythro-3-amino-2-nonanol (51714-13-7,75166-64-2,79854-85-6,79854-86-7,79854-87-8,79854-88-9,87935-58-8,119720-60-4,51714-10-4) → erythro-9-(2-hydroxy-3-nonyl)-7-deazadenine (103298-51-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 82.6 percent / ethanol / 2 h / 80 °C

2: 50 percent / NH₃ / methanol / 30 h / 110 °C

With ammonia; In methanol; ethanol;

DOI:10.1021/jm00397a021

Reference yield:

2-(4,6-dichloropyrimidin-5-yl)acetaldehyde (16019-33-3) → erythro-9-(2-hydroxy-3-nonyl)-7-deazadenine (103298-51-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 82.6 percent / ethanol / 2 h / 80 °C

2: 50 percent / NH₃ / methanol / 30 h / 110 °C

With ammonia; In methanol; ethanol;

DOI:10.1021/jm00397a021

upstream raw materials:

erythro-4-chloro-7-(2-hydroxy-3-nonyl)pyrrolo<2,3-d>pyrimidine

(+/-)-erythro-3-amino-2-nonanol

2-(4,6-dichloropyrimidin-5-yl)acetaldehyde