1-Acetyl-2-phenylhydrazine

Base Information

• Chemical Name: 1-Acetyl-2-phenylhydrazine
• CAS No.: 114-83-0
• Molecular Formula: C8H10N2O
• Molecular Weight: 150.18
• Hs Code.: 29280090
• European Community (EC) Number: 204-055-3
• NSC Number: 229032,2847,2064
• UN Number: 2811
• UNII: C818L19FMP
• DSSTox Substance ID: DTXSID1020015
• Nikkaji Number: J5.137C
• Wikidata: Q2806574
• Metabolomics Workbench ID: 130100
• ChEMBL ID: CHEMBL30131
• Mol file: 114-83-0.mol

Synonyms:1-acetyl-2-phenylhydrazine;acetylphenylhydrazine;beta-acetylphenylhydrazine;N(1)-acetylphenylhydrazine

Chemical Property of 1-Acetyl-2-phenylhydrazine

Chemical Property:

• Appearance/Colour: colorless prisms or white solid
• Vapor Pressure: 1E-06mmHg at 25°C
• Melting Point: 128-131 °C(lit.)
• Refractive Index: 1.6180 (estimate)
• Boiling Point: 214.1 °C at 760 mmHg
• PKA: 12.75±0.23(Predicted)
• Flash Point: 87.8 °C
• PSA: 41.13000
• Density: 1.143 g/cm³
• LogP: 1.61350
• Storage Temp.: Store at +15°C to +25°C.
• Solubility.: soluble in Alcohol
• Water Solubility.: <0.1 g/100 mL at 19 C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 130
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

1-Acetyl-2-phenylhydrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-43-20/21/22
• Safety Statements: 22-26-36-24/25-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Hydrazides
• Canonical SMILES: CC(=O)NNC1=CC=CC=C1
• Uses: 1-Acetyl-2-phenylhydrazine is an Anaerobically curable compound.

Technology Process of 1-Acetyl-2-phenylhydrazine

There total 80 articles about 1-Acetyl-2-phenylhydrazine 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: 100.0%

acetic anhydride (108-24-7) + phenylhydrazine (100-63-0) → 1-acetyl-2-phenylhydrazine (114-83-0)

Guidance literature:

In diethyl ether; at 0 ℃; for 10h;

DOI:10.1021/jo00227a029

Reference yield: 98.0%

1,1,1-trichloroacetone (918-00-3,861255-82-5) + phenylhydrazine (100-63-0) → 1-acetyl-2-phenylhydrazine (114-83-0)

Guidance literature:

With triethylamine; In acetonitrile; for 8h; Heating;

Reference yield: 96.0%

acetic acid (64-19-7,77671-22-8) + phenylhydrazine (100-63-0) → 1-acetyl-2-phenylhydrazine (114-83-0)

Guidance literature:

at 80 ℃; for 3.5h; Inert atmosphere;

DOI:10.1016/j.tetasy.2012.06.002

upstream raw materials:

acetyl-methyl-malonic acid diethyl ester

phenylhydrazine acetate

(1-nitro-ethylidene)-phenyl-hydrazine

acetic anhydride

Downstream raw materials:

N'-acetyl-N'-phenylacetohydrazide

1,5-diphenyl-4-pyrazolin-3-one

1-acetyl-2,4-diphenyl thiosemicarbazide

1H-5-methyl-1-phenyl-1,2,4-triazole

Refernces

• 1、 Yazdani, Elahe,Pazoki, Farzane,Salamatmanesh, Arefe,Nejad, Masoume Jadidi,Miraki, Maryam Kazemi,Heydari, Akbar. "Synthesis of acetamides via oxidative C–C bond cleavage of ketones catalyzed by Cu-immobilized magnetic nanoparticles". . . Retrieved 2020/07/27.
• 2、 Yazdani, Elahe,Kazemi Miraki, Maryam,Salamatmanesh, Arefe,Azarnia, Jamshid,Azizi, Kobra,Ghandi, Leila,Heydari, Akbar. "A magnetically recoverable copper–salen complex as a nano-catalytic system for amine protection via acetylation using thioacetic acid". . p. 1775 - 1793. Retrieved 2019/01/16.