| Identification | More | [Name]
4-tert-Butylbenzhydrazide | [CAS]
43100-38-5 | [Synonyms]
4-(TERT-BUTYL)BENZENE-1-CARBOHYDRAZIDE
4-(TERT-BUTYL)BENZENECARBOHYDRAZIDE
4-TERT-BUTYLBENZHYDRAZIDE
4-TERT-BUTYLBENZHYRAZIDE
4-TERT-BUTYLBENZOHYDRAZIDE
4-TERT-BUTYLBENZOIC ACID HYDRAZIDE
4-TERT-BUTYLBENZOIC HYDRAZIDE
4-TERT-BUTYLBENZOYLHYDRAZINE
AKOS BBS-00004509
BUTTPARK 44\03-79
LABOTEST-BB LT00454438
p-tert-butylbenzohydrazide
Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
Butylbenzhydrazide
4-TERT-BUTYLBENZHYDRAZIDE, HPLC 99%
hydrazide 4-(1,1-dimethylethyl)-Benzoic acid
4-tert-Butylbenzhydrazide, 98+%
4-(1,1-Dimethylethyl)benzhydrazide
p-(tert-Butyl)benzhydrazide | [EINECS(EC#)]
256-090-9 | [Molecular Formula]
C11H16N2O | [MDL Number]
MFCD00014763 | [Molecular Weight]
192.26 | [MOL File]
43100-38-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light beige crystalline powder or | [Melting point ]
120-127 °C(lit.) | [density ]
1.046±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
12.82±0.10(Predicted) | [color ]
White to Almost white | [BRN ]
1104663 | [InChI]
InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14) | [InChIKey]
XYUFQWDLRLHUPB-UHFFFAOYSA-N | [SMILES]
C(NN)(=O)C1=CC=C(C(C)(C)C)C=C1 | [CAS DataBase Reference]
43100-38-5(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Tert-butylbenzoic acid hydrazide(43100-38-5) | [EPA Substance Registry System]
Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide (43100-38-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29280000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light beige crystalline powder or | [Uses]
4-tert-Butylbenzoic hydrazide was used in the synthesis of 2-(2-methylphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole. | [Synthesis]
The general procedure for the synthesis of p-tert-butylbenzohydrazide from methyl p-tert-butylbenzoate is as follows:
1. Preparation of raw materials: 40.0 g (0.21 mol) of methyl p-tert-butylbenzoate and 60.0 g (1.20 mol) of hydrazine hydrate were added to a reaction flask containing 120 mL of dioxane.
2. Reaction process: The reaction mixture was heated to reflux for 28 hours.
3. Post-treatment: After completion of the reaction, the mixture was cooled to room temperature and subsequently poured into 1000.0 mL of water. 4.
4. Separation of products: The precipitated white solid was collected by filtration and dried under vacuum. 5.
5. Yield and characterization: 36.0 g of product was obtained in 90.0% yield. The product was characterized by 1H NMR (400 MHz, CDCl3) and 13C NMR (100 MHz, CDCl3) with the following data:
1H NMR δ: 7.67 (d, 2H, J = 8.4 Hz), 7.40 (d, 2H, J = 8.4 Hz), 4.15 (br, 2H, NH2), 1.29 (s, 9H, 3×CH3) ppm.
13C NMR δ: 168.54, 155.38, 129.54, 126.72, 125.57, 34.90, 31.07 ppm. | [References]
[1] Patent: WO2009/80797, 2009, A1. Location in patent: Page/Page column 25
[2] Letters in Drug Design and Discovery, 2012, vol. 9, # 3, p. 276 - 281
[3] Patent: CN104326980, 2016, B. Location in patent: Paragraph 0059; 0060
[4] Journal of Enzyme Inhibition and Medicinal Chemistry, 2016, vol. 31, p. 62 - 69
[5] Chemistry - A European Journal, 2013, vol. 19, # 4, p. 1373 - 1384 |
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