6-Azathymine

Base Information

• Chemical Name: 6-Azathymine
• CAS No.: 932-53-6
• Deprecated CAS: 16075-91-5
• Molecular Formula: C4H5 N3 O2
• Molecular Weight: 127.103
• Hs Code.: 2933699090
• European Community (EC) Number: 213-253-9
• NSC Number: 38620,3426
• UNII: ZWX58T58ZA
• DSSTox Substance ID: DTXSID70239325
• Nikkaji Number: J12.256D
• Wikidata: Q27179036
• ChEMBL ID: CHEMBL1741493
• Mol file: 932-53-6.mol

Synonyms:6-azathymine

Chemical Property of 6-Azathymine

Chemical Property:

• Melting Point: 210-212°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 7.6(at 25℃)
• Flash Point: °C
• PSA: 78.61000
• Density: 1.67g/cm³
• LogP: -1.23340
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.038176411
• Heavy Atom Count: 9
• Complexity: 196

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Azathymine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=O)NC1=O

Technology Process of 6-Azathymine

There total 9 articles about 6-Azathymine 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: 79.0%

6-aza-2-thiothymine (615-76-9) → 6-azathymine (932-53-6)

Guidance literature:

6-aza-2-thiothymine; With dihydrogen peroxide; sodium hydroxide; In water; at 0 - 20 ℃; for 0.5h;

With hydrogenchloride; In water; at 0 ℃;

DOI:10.1002/cbdv.201100285

Reference yield: 63.0%

→ 6-azathymine (932-53-6)

Guidance literature:

Reference yield:

→ 6-azathymine (932-53-6)

Guidance literature:

With bromine;

upstream raw materials:

Brenztraubensaeuresemicarbazon

6-aza-2-thiothymine

2-(2-deoxy-β-D-erythro-pentofuranosyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione

pyruvic acid semicarbazone

Downstream raw materials:

2-(2-deoxy-β-D-erythro-pentofuranosyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione

4-(4-chlorobenzyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione

2-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione

6-methyl-2,4-bis(2-oxo-2-(4-fluorophenyl)ethyl)-1,2,4-triazine-3,5(2H,4H)-dione

Refernces

• 1、 -. "PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS". . . Retrieved 2010/03/02.
• 2、 El-Brollosy, Nasser R.. "Synthesis and antimicrobial evaluation of 6-azauracil non-nucleosides". scheme or table. p. 1483 - 1490. Retrieved 2009/12/26.