ACETIC ACID, 2-(alpha-METHYLBENZYL)HYDRAZIDE

Base Information

• Chemical Name: ACETIC ACID, 2-(alpha-METHYLBENZYL)HYDRAZIDE
• CAS No.: 3973-99-7
• Molecular Formula: C10H14N2O
• Molecular Weight: 178.234
• NSC Number: 51943
• Nikkaji Number: J659.558H
• Mol file: 3973-99-7.mol

Synonyms:N-Acetylmebanazine;NSC 51943;BRN 0640785;3973-99-7;ACETIC ACID, 2-(alpha-METHYLBENZYL)HYDRAZIDE;Acetic acid, 2-(1-phenylethyl)hydrazide;NSC51943;SCHEMBL7451224;NSC-51943;1-Acetyl-2-(alpha-methylbenzyl)hydrazine;N'-(1-phenyl-ethyl)-acetic acid hydrazide

Chemical Property of ACETIC ACID, 2-(alpha-METHYLBENZYL)HYDRAZIDE

Chemical Property:

• Boiling Point: 262.2°Cat760mmHg
• Flash Point: 101.3°C
• Density: 1.043g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.110613074
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NNC(=O)C

Technology Process of ACETIC ACID, 2-(alpha-METHYLBENZYL)HYDRAZIDE

There total 7 articles about ACETIC ACID, 2-(alpha-METHYLBENZYL)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: 88.0%

1-Phenylethanol (98-85-1,13323-81-4) + acetic acid hydrazide (1068-57-1) → N’-(1-phenylethyl)acetohydrazide (3973-99-7)

Guidance literature:

With nickel(II) triflate; 1,3-bis(dicyclohexylphosphine)propane; In tert-Amyl alcohol; at 120 ℃; for 48h; Inert atmosphere; Glovebox; Schlenk technique; Molecular sieve;

DOI:10.1002/anie.201708949

Reference yield: 56.0%

(E)-N'-(1-phenylethylidene)acetohydrazide (14849-57-1) → N’-(1-phenylethyl)acetohydrazide (3973-99-7)

Guidance literature:

With triethylsilane; In trifluoroacetic acid; at 50 ℃; for 4h;

Reference yield:

acetophenone (98-86-2) → N’-(1-phenylethyl)acetohydrazide (3973-99-7)

Guidance literature:

Multi-step reaction with 4 steps

1: ethanol / Reflux

2: tris(pentafluorophenyl)borate; hydrogen / toluene / 18 h / 60 °C / 75007.5 Torr / Glovebox; Inert atmosphere; Autoclave

3: hydrazine hydrate / ethanol / Reflux

4: 5 h / Reflux

With tris(pentafluorophenyl)borate; hydrogen; hydrazine hydrate; In ethanol; toluene;

DOI:10.1002/chem.201503509

upstream raw materials:

(E)-N'-(1-phenylethylidene)acetohydrazide

acetophenone

acetic acid

(1-phenyl-ethyl)-hydrazine