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

Base Information

• Chemical Name: Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester
• CAS No.: 77726-96-6
• Molecular Formula: C12H17N3O2
• Molecular Weight: 235.286
• DSSTox Substance ID: DTXSID50407388
• Nikkaji Number: J2.340.113D
• Mol file: 77726-96-6.mol

Synonyms:77726-96-6;Benzoic acid, 4-(3,3-diethyl-1-triazenyl)-, methyl ester;DTXSID50407388

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

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 235.132076794
• Heavy Atom Count: 17
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about Benzoic acid, 4-(3,3-diethyl-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:

diethylamine (109-89-7) + 4-methoxycarbonyl aniline (619-45-4) → methyl 4-(3,3-diethyltriaz-1-en-1-yl)benzoate (77726-96-6)

Guidance literature:

4-methoxycarbonyl aniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

diethylamine; With potassium carbonate; In water; at 0 - 20 ℃;

DOI:10.1039/c4cc03481c

Reference yield: 97.0%

methyl 4-(3,3-diethyltriaz-1-en-1-yl)benzoate (77726-96-6) + methyl iodide (74-88-4) → methyl 4-iodobenzoate (619-44-3)

Guidance literature:

at 110 - 120 ℃; for 6h;

DOI:10.1016/S0040-4039(00)74354-1

Reference yield: 85.0%

1-aminomorpholine (4319-49-7) + methyl 4-(3,3-diethyltriaz-1-en-1-yl)benzoate (77726-96-6) → methyl 4-(n-morpholinosulfamoyl)benzoate (1255365-64-0)

Guidance literature:

With boron trifluoride diethyl etherate; sulfur dioxide; In acetonitrile; at 60 ℃; for 3h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4cc03481c

upstream raw materials:

diethylamine

4-methoxycarbonyl aniline

Downstream raw materials:

methyl 4-iodobenzoate

methyl 4-(N,N-diethylsulfamoyl)benzoate

methyl 4-(n-morpholinosulfamoyl)benzoate

4-(diethylaminocarbonyl)benzoic acid methyl ester