Benzoic acid, 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)-, methyl ester
• CAS No.: 90476-07-6
• Molecular Formula: C12H15N3O4
• Molecular Weight: 265.269
• NSC Number: 372080

Synonyms:NIOSH/DG0892000;90476-07-6;DG08920000;3-Acetoxymethyl-3-methyl-1-(p-methoxycarbonylphenyl)triazene;Benzoic acid, p-(3-(acetoxymethyl)-3-methyl-1-triazeno)-, methyl ester;NSC372080;Methyl 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)benzoate;Benzoic acid, 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)-, methyl ester;NSC 372080;NSC-372080

Chemical Property of Benzoic acid, 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 1.1E-05mmHg at 25°C
• Boiling Point: 370.5°Cat760mmHg
• Flash Point: 177.9°C
• Density: 1.19g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 265.10625597
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCN(C)N=NC1=CC=C(C=C1)C(=O)OC

Technology Process of Benzoic acid, 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)-, methyl ester

There total 1 articles about Benzoic acid, 4-(3-((acetyloxy)methyl)-3-methyl-1-triazenyl)-, methyl ester 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: 92.0%

acetic anhydride (108-24-7) + 1-p-methoxycarbonylphenyl-3-hydroxymethyl-3-methyltriazene (69467-93-2) → 1-p-methoxycarbonylphenyl-3-methyl-3-acetoxymethyltriazene (90476-07-6)

Guidance literature:

With pyridine; for 1h; ice-bath;

Reference yield: 90.0%

methanol (67-56-1) + 1-p-methoxycarbonylphenyl-3-methyl-3-acetoxymethyltriazene (90476-07-6) → 1-p-methoxycarbonylphenyl-3-methyl-3-methoxymethyltriazene (90476-17-8)

Guidance literature:

for 6h; Ambient temperature;

Reference yield: 84.0%

sodium thiophenolate (930-69-8) + 1-p-methoxycarbonylphenyl-3-acetoxymethyl-3-methyltriazene (90476-07-6) → C16H17N3O2S (117768-91-9)

Guidance literature:

In N,N-dimethyl-formamide; for 2h; Ambient temperature;

upstream raw materials:

acetic anhydride

1-p-methoxycarbonylphenyl-3-hydroxymethyl-3-methyltriazene

Downstream raw materials:

1-p-methoxycarbonylphenyl-3-methyl-3-methoxymethyltriazene

1-(4'-methoxycarbonylphenyl)-3-ethoxymethyl-3-methyltriazene

1-(4'-methoxycarbonylphenyl)-3-methoxymethyl-3-methyltriazene

1-(4-carbomethoxyphenyl)-3-(4-nitrophenyloxymethyl)-3-methyl triazene

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