Deethylterbutryne

Base Information

• Chemical Name: Deethylterbutryne
• CAS No.: 30125-65-6
• Molecular Formula: C8H15 N5 S
• Molecular Weight: 213.3032
• Hs Code.: 2933699090
• UNII: C8NP55C94V
• DSSTox Substance ID: DTXSID10891446
• Metabolomics Workbench ID: 57624
• Nikkaji Number: J855.529J
• Wikidata: Q27122350
• Mol file: 30125-65-6.mol

Synonyms:GS26575

Chemical Property of Deethylterbutryne

Chemical Property:

• Vapor Pressure: 5.11E-07mmHg at 25°C
• Boiling Point: 412.6°C at 760 mmHg
• Flash Point: 203.3°C
• PSA: 102.02000
• Density: 1.21g/cm³
• LogP: 2.04030
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 213.10481667
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Deethylterbutryne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC1=NC(=NC(=N1)N)SC
• Uses: Deethylterbutryne is a pollutant. It is photocatalytic degradation product of herbicide Irgarol (I764100), which is photosynthesis inhibitor.

Technology Process of Deethylterbutryne

There total 2 articles about Deethylterbutryne 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:

2-methylthio-4-t-butylamino-6-cyclopropyl-amino-s-triazine (28159-98-0) → 2-methylthio-4-tert-butylamino-6-amino-s-triazine (30125-65-6)

Guidance literature:

mercury dichloride; In acetate buffer; at 21 ℃; for 2h; pH=5; Further Variations:; pH-values; Reagents; Kinetics;

DOI:10.1016/S0043-1354(98)00186-9

Reference yield:

→ 2-methylthio-4-tert-butylamino-6-amino-s-triazine (30125-65-6)

Guidance literature:

Chlortriazin 1, MeSH;

upstream raw materials:

2-methylthio-4-t-butylamino-6-cyclopropyl-amino-s-triazine

Refernces

• 1、 Liu,Pacepavicius,Maguire,Lau,Okamura,Aoyama. "Mercuric chloride-catalyzed hydrolysis of the new antifouling compound Irgarol 1051". . p. 155 - 163. Retrieved 1999.
• 2、 -. "Process for the preparation of 2,4-di(alkylamino)-6-alkylthio-s-triazines". . . Retrieved 2008/06/13.