Hydrazinecarboxylic acid, 2-benzoyl-2-(1,1-dimethylethyl)-, phenyl ester

Base Information

• Chemical Name: Hydrazinecarboxylic acid, 2-benzoyl-2-(1,1-dimethylethyl)-, phenyl ester
• CAS No.: 170102-27-9
• Molecular Formula: C18H20N2O3
• Molecular Weight: 312.368
• DSSTox Substance ID: DTXSID10474233
• Wikidata: Q82304098
• Mol file: 170102-27-9.mol

Synonyms:170102-27-9;Hydrazinecarboxylic acid, 2-benzoyl-2-(1,1-dimethylethyl)-, phenyl ester;DTXSID10474233;N-t-butyl-N-(3,5-dimethylbenzoyl)

Chemical Property of Hydrazinecarboxylic acid, 2-benzoyl-2-(1,1-dimethylethyl)-, phenyl ester

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 312.14739250
• Heavy Atom Count: 23
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)OC2=CC=CC=C2

Technology Process of Hydrazinecarboxylic acid, 2-benzoyl-2-(1,1-dimethylethyl)-, phenyl ester

There total 2 articles about Hydrazinecarboxylic acid, 2-benzoyl-2-(1,1-dimethylethyl)-, phenyl 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: 81.4%

benzoyl chloride (98-88-4) + N-tert-butyl-N'-phenyloxycarbonylhydrazine (545387-38-0) → N-tert-butyl-N'-phenoxycarbonyl-N-benzoylhydrazine (170102-27-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

phenyl chloroformate (1885-14-9) → N-tert-butyl-N'-phenoxycarbonyl-N-benzoylhydrazine (170102-27-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / sodium hydroxide

2: 81 percent / Et₃N / CH₂Cl₂

With sodium hydroxide; triethylamine; In dichloromethane;

DOI:10.1081/SCC-120027261

Reference yield: 76.4%

N-tert-butyl-N'-phenoxycarbonyl-N-benzoylhydrazine (170102-27-9) → N'-t-butyl-N'-benzoylhydrazine (99981-48-3)

Guidance literature:

With sodium hydroxide; In ethanol; at 60 ℃; for 1h;

upstream raw materials:

benzoyl chloride

N-tert-butyl-N'-phenyloxycarbonylhydrazine

phenyl chloroformate

Downstream raw materials:

N'-t-butyl-N'-benzoylhydrazine

C₁₈H₂₁N₃O₂

C₁₈H₂₀ClN₃O₂

C₁₉H₂₃N₃O₃