4-(1,1-Dimethylethyl)benzoic acid 2-methyl-2-[(methylamino)thioxomethyl]hydrazide

Base Information

• Chemical Name: 4-(1,1-Dimethylethyl)benzoic acid 2-methyl-2-[(methylamino)thioxomethyl]hydrazide
• CAS No.: 139488-46-3
• Molecular Formula: C14H21N3OS
• Molecular Weight: 279.406
• DSSTox Substance ID: DTXSID201132670

Synonyms:DTXSID201132670;4-(1,1-Dimethylethyl)benzoic acid 2-methyl-2-[(methylamino)thioxomethyl]hydrazide;139488-46-3

Chemical Property of 4-(1,1-Dimethylethyl)benzoic acid 2-methyl-2-[(methylamino)thioxomethyl]hydrazide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 279.14053348
• Heavy Atom Count: 19
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NN(C)C(=S)NC

Technology Process of 4-(1,1-Dimethylethyl)benzoic acid 2-methyl-2-[(methylamino)thioxomethyl]hydrazide

There total 1 articles about 4-(1,1-Dimethylethyl)benzoic acid 2-methyl-2-[(methylamino)thioxomethyl]hydrazide 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: 66.0%

2,4-dimethylthiosemicarbazide (6621-75-6) + p-tert-butyl benzoyl chloride (1710-98-1) → 1-<4-(t-butyl)benzoyl>-2,4-dimethylthiosemicarbazide (139488-46-3)

Guidance literature:

With pyridine; for 24h;

DOI:10.1080/00397919208021073

Reference yield: 67.0%

1-<4-(t-butyl)benzoyl>-2,4-dimethylthiosemicarbazide (139488-46-3) → 5-<4-(t-butyl)phenyl>-3-methyl-2-methylimino-1,3,4-oxadiazole (139488-47-4)

Guidance literature:

With mercury(II) oxide; In methanol; for 0.75h; Heating;

DOI:10.1080/00397919208021073

upstream raw materials:

2,4-dimethylthiosemicarbazide

p-tert-butyl benzoyl chloride

Downstream raw materials:

5-<4-(t-butyl)phenyl>-3-methyl-2-methylimino-1,3,4-oxadiazole

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