4-tert-Butylbenzhydrazide

Base Information

• Chemical Name: 4-tert-Butylbenzhydrazide
• CAS No.: 43100-38-5
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• Hs Code.: 29280000
• European Community (EC) Number: 256-090-9
• UNII: BE762NHT78
• DSSTox Substance ID: DTXSID7074747
• Nikkaji Number: J30.697E
• Mol file: 43100-38-5.mol

Synonyms:4-tert-Butylbenzhydrazide;43100-38-5;4-(tert-Butyl)benzohydrazide;4-tert-Butylbenzohydrazide;Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide;4-tert-Butylbenzoic hydrazide;4-tert-butylbenzhyrazide;p-tert-Butylbenzohydrazide;4-tert-Butylbenzoic acid hydrazide;EINECS 256-090-9;MFCD00014763;4-(tert-butyl)benzenecarbohydrazide;4-t-Butylbenzhydrazide;4-t-butyl-benzhydrazide;p-tert-Butylbenzhydrazide;Maybridge1_008514;p-(t-butyl)-benzhydrazide;4-tert-Butylbenzoylhydrazine;Oprea1_041873;Oprea1_646607;4-tert-Butylbenzohydrazide #;SCHEMBL418246;4-tert-Butyl Benzoyl Hydrazine;BE762NHT78;DTXSID7074747;HMS565K22;4-tert-butyl-benzoic acid hydrazide;4-tert-Butylbenzoic hydrazide, 97%;BBL008417;STK085893;AKOS000120713;AC-7819;AM62654;CS-W015801;SB86255;4-(tert-Butyl)benzene-1-carbohydrazide;SY001530;4-(1,1-Dimethylethyl)benzoic acid hydrazide;B2886;FT-0619497;EN300-18147;H10744;11P-118;A826154;W-106247;Z57206656

Chemical Property of 4-tert-Butylbenzhydrazide

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Melting Point: 120-127 °C(lit.)
• Refractive Index: 1.534
• PKA: 12.82±0.10(Predicted)
• PSA: 55.12000
• Density: 1.046 g/cm³
• LogP: 2.67880
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: soluble in Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

98% ^*data from raw suppliers

4-tert-Butylbenzhydrazide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NN
• Uses: 4-tert-Butylbenzoic hydrazide was used in the synthesis of 2-(2-methylphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole.

Technology Process of 4-tert-Butylbenzhydrazide

There total 10 articles about 4-tert-Butylbenzhydrazide 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: 99.0%

ethyl 4-tert-butylbenzoate (5406-57-5) → 4-tert-butylbenzoic acid hydrazide (43100-38-5)

Guidance literature:

With hydrazine; In ethanol;

DOI:10.1021/jm0503244

Reference yield: 94.0%

p-tert-butyl benzoyl chloride (1710-98-1) → 4-tert-butylbenzoic acid hydrazide (43100-38-5)

Guidance literature:

With hydrazine hydrate; In ethanol; dichloromethane; at 0 - 20 ℃;

DOI:10.1002/chem.201202246

Reference yield: 90.0%

methyl 4-tert-butylbenzoate (26537-19-9) → 4-tert-butylbenzoic acid hydrazide (43100-38-5)

Guidance literature:

With hydrazine hydrate; In 1,4-dioxane; for 28h; Reflux;

upstream raw materials:

methyl 4-tert-butylbenzoate

ethyl 4-tert-butylbenzoate

p-tert-butyl benzoyl chloride

4-methyl-morpholine

Downstream raw materials:

4-tert-butyl-N′-(1-(pyridin-2-yl)ethylidene)benzohydrazide

2-(chloromethyl)-5-(4-t-butylphenyl)-1,3,4-oxadiazole

C₁₅H₁₈N₄O₂

4-(1,1-dimethylethyl)benzoic acid

Refernces

• 1、 Bazhenova, T. A.,Chukanova, O. M.,Kornev, A. B.,Manakin, Yu. V.,Sedov, I. V.,Sheverdenkina, O. G.,Yakushev, I. A.. "Activity of a New Chromium(III) Complex with a Pentadentate (N3O2) Schiff-Base Ligand in the Reaction of Carbon Dioxide with Propylene Oxide". . p. 428 - 435. Retrieved 2021/06/14.
• 2、 Alves, Marina A.,Chaves, Lorrane S.,Fernandes, Patrícia D.,Fraga, Carlos A. M.,Guerra, Fabiana S.,Rodrigues, Daniel A.,Sagrillo, Fernanda S.,Sant'Anna, Carlos M. R.,Thota, Sreekanth,de Sena M. Pinheiro, Pedro. "Design, Synthesis, and Pharmacological Evaluation of First-in-Class Multitarget N-Acylhydrazone Derivatives as Selective HDAC6/8 and PI3Kα Inhibitors". supporting information. . Retrieved 2020/02/25.