Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate

Base Information

• Chemical Name: Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate
• CAS No.: 202286-41-7
• Molecular Formula: C₁₅H₁₄N₄S
• Molecular Weight: 282.369
• DSSTox Substance ID: DTXSID401179371
• Mol file: 202286-41-7.mol

Synonyms:DTXSID401179371;Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate

Chemical Property of Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 282.09391764
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC(=NCN1C2=CC=CC=C2N=N1)C3=CC=CC=C3

Technology Process of Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate

There total 1 articles about Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate 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: 87.0%

N-(benzotriazol-1-ylmethyl)thiobenzoamide (117067-55-7) + methyl iodide (74-88-4) → N-(benzotriazol-1-ylmethyl)-α-(methylthio)phenylimine (202286-41-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃;

DOI:10.1016/0040-4020(95)00851-X

Reference yield: 97.0%

(4-methylbenzylidene)phenylamine (2362-77-8) + N-(benzotriazol-1-ylmethyl)-α-(methylthio)phenylimine (202286-41-7) → 4-(benzotriazol-1-yl)-1,2-diphenyl-5-(4-methylphenyl)-4,5-dihydroimidazole (173469-07-3)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃; for 0.5h;

DOI:10.1016/0040-4020(95)00851-X

Reference yield: 93.0%

ethyl 3-phenyl-2-propenoate (103-36-6) + N-(benzotriazol-1-ylmethyl)-α-(methylthio)phenylimine (202286-41-7) → ethyl 2,4-diphenyl-1H-pyrrole-3-carboxylate (63324-78-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; dimethyl sulfoxide; at 30 - 40 ℃; for 2h;

DOI:10.1016/0040-4020(95)00851-X

upstream raw materials:

N-(benzotriazol-1-ylmethyl)thiobenzoamide

methyl iodide

Downstream raw materials:

2-phenyl-3-(pyridin-4-yl)pyrrole

4-methyl-2-phenyl-1H-pyrrole-3-carbonitrile

ethyl 2,4-diphenyl-1H-pyrrole-3-carboxylate

4-(benzotriazol-1-yl)-1,2-diphenyl-5-(4-methylphenyl)-4,5-dihydroimidazole