ISOBUTYRALDEHYDE 2,4-DINITROPHENYLHYDRAZONE

Base Information

• Chemical Name: ISOBUTYRALDEHYDE 2,4-DINITROPHENYLHYDRAZONE
• CAS No.: 2057-82-1
• Molecular Formula: C₁₀H₁₂N₄O₄
• Molecular Weight: 252.23
• Hs Code.: 2928000090
• European Community (EC) Number: 678-554-3
• NSC Number: 401118,27085,6122
• Mol file: 2057-82-1.mol

Synonyms:Isobutyraldehyde,(2,4-dinitrophenyl)hydrazone (6CI,7CI,8CI); Propanal, 2-methyl-,(2,4-dinitrophenyl)hydrazone (9CI); 2-Methylpropanal2,4-dinitrophenylhydrazone; Isobutanal 2,4-dinitrophenylhydrazone; NSC 27085;NSC 401118; NSC 6122

Chemical Property of ISOBUTYRALDEHYDE 2,4-DINITROPHENYLHYDRAZONE

Chemical Property:

• Vapor Pressure: 1.93E-06mmHg at 25°C
• Melting Point: 179-181 °C
• Boiling Point: 394.8 ºC at 760 mmHg
• PKA: 12.22±0.10(Predicted)
• Flash Point: 192.5 ºC
• PSA: 116.03000
• Density: 1.37 g/cm³
• LogP: 3.67610
• Storage Temp.: 0-6°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 252.08585488
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isobutyraldehyde-2,4-DNPH solution certified reference material, 100 μg/mL in acetonitrile, ampule of 1 mL ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXn
• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: CC(C)/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of ISOBUTYRALDEHYDE 2,4-DINITROPHENYLHYDRAZONE

There total 5 articles about ISOBUTYRALDEHYDE 2,4-DINITROPHENYLHYDRAZONE 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: 67.12%

2-methyl-propan-1-ol (78-83-1) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → 2-methylpropanal 2,4-dinitrophenylhydrazone (2057-82-1,74335-77-6,74335-78-7)

Guidance literature:

2-methyl-propan-1-ol; With C₉₇H₇₅Br₄N₃O₂P₄Ru₂; oxygen; In dichloromethane; at 20 ℃; for 6h; under 760.051 Torr;

(2,4-dinitro-phenyl)-hydrazine;

DOI:10.3109/10799890903555616

Reference yield: 20.0%

1-amino-3-methylbutane (107-85-7) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → 2-methylpropanal 2,4-dinitrophenylhydrazone (2057-82-1,74335-77-6,74335-78-7)

Guidance literature:

1-amino-3-methylbutane; With lithium perchlorate; [3-amino-2,4-dihydroxyphenyl]phenylmethanone; In methanol; at 20 ℃; Electrochemical reaction;

(2,4-dinitro-phenyl)-hydrazine; With sulfuric acid; lithium perchlorate; In methanol; ethanol; for 1h;

DOI:10.1002/anie.200390263

Reference yield:

tert.-butylhydroperoxide (75-91-2) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → 2-methylpropanal 2,4-dinitrophenylhydrazone (2057-82-1,74335-77-6,74335-78-7)

Guidance literature:

tert.-butylhydroperoxide; With zirconium(IV) tert-butoxide; In benzene; at 20 ℃;

(2,4-dinitro-phenyl)-hydrazine; With boron trifluoride diethyl etherate; In benzene; Further stages.;

DOI:10.1134/S1070363206060235

upstream raw materials:

N-{1-[(1-Cyano-2-methyl-propyl)-hydroxy-amino]-2-methyl-propyl}-formamide

(2,4-dinitro-phenyl)-hydrazine

isobutyraldehyde

1-amino-3-methylbutane

Downstream raw materials:

N-(2,4-dinitrophenyl)-C-isopropylhydrazonyl chloride

Refernces

• 1、 Gehlot,Gilla,Mishra,Sharma, Vinita. "Kinetics and mechanism of the oxidation of aliphatic primary alcohols by imidazolium fluorochromate". experimental part. p. 685 - 692. Retrieved 2012/04/04.
• 2、 Choudhary,Yajurvedi,Soni,Agarwa,Sharma, Vinita. "Oxidation of aliphatic primary alcohols by morpholinium chlorochromate: A kinetic and mechanistic approach". experimental part. p. 1061 - 1066. Retrieved 2011/05/05.