N-phenyl-2-[(8,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]propanamide

Base Information

• Chemical Name: N-phenyl-2-[(8,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]propanamide
• CAS No.: 4864-16-8
• Molecular Formula: C₁₆H₁₈N₄
• Molecular Weight: 266.346
• DSSTox Substance ID: DTXSID80423531
• ChEMBL ID: CHEMBL1518921
• Mol file: 4864-16-8.mol

Synonyms:MLS000590524;4864-16-8;CHEMBL1518921;DTXSID80423531;HMS2555D10;STL338636;AKOS022102088;SMR000217630;N-Phenyl-2-(1,11,11-trimethyl-3,4,6-triaza-tricyclo[6.2.1.0*2,7*]undeca-2(7),3,5-trien-5-ylsulfanyl)-propionamide;N-phenyl-2-[(8,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]propanamide

Chemical Property of N-phenyl-2-[(8,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]propanamide

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 368.16708258
• Heavy Atom Count: 26
• Complexity: 550

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C4(CCC3C4(C)C)C)N=N2

Technology Process of N-phenyl-2-[(8,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]propanamide

There total 5 articles about N-phenyl-2-[(8,9,9-trimethyl-5,6,7,8-tetrahydro-5,8-methano-1,2,4-benzotriazin-3-yl)sulfanyl]propanamide 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:

butanedial (638-37-9) + phenylhydrazine acetate (72358-76-0) → succinaldehyde bis-phenylhydrazone (4864-16-8)

Guidance literature:

With ethanol;

Reference yield:

succinaldehyde dioxime (2580-71-4) + phenylhydrazine (100-63-0) → succinaldehyde bis-phenylhydrazone (4864-16-8)

Guidance literature:

at 210 ℃;

Reference yield:

ethanol (64-17-5) + butanedial (638-37-9) → succinaldehyde bis-phenylhydrazone (4864-16-8)

Guidance literature:

upstream raw materials:

butanedial

phenylhydrazine acetate

succinaldehyde dioxime

phenylhydrazine

Downstream raw materials:

1,5,1',5'-tetraphenyl-3,3'-ethanediyl-di-formazan

phenylhydrazine