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CAS No.: | 5331-43-1 |
---|---|
Name: | Carbobenzoxyhydrazide |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C8H10N2O2 |
Molecular Weight: | 166.18 |
Synonyms: | Carbazicacid, benzyl ester (6CI,7CI,8CI);Benzylhydrazinecarboxylate;Benzyl hydrazinocarboxylate;Benzyloxycarbonyl hydrazide;Hydrazincarboxylic acid benzylester;NSC 2287;[(Benzyloxy)carbonyl]hydrazine;Carbazic acid, benzyl ester; |
EINECS: | 226-230-3 |
Density: | 1.202 g/cm3 |
Melting Point: | 65-68 °C(lit.) |
Boiling Point: | 351.292 °C at 760 mmHg |
Flash Point: | 166.255 °C |
Solubility: | Soluble in water (slightly), methanol and DMSO. |
Appearance: | light beige shiny flakes |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-36 |
PSA: | 64.35000 |
LogP: | 1.87770 |
C11H11Cl3N2O4
N-benzyloxycarbonyl-hydrazine
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; mischmetal (50 percent Ce, 25 percent La, 16 percent Nd, 6 percent Pr) In tetrahydrofuran for 3h; Heating; | 99% |
Conditions | Yield |
---|---|
With lithium carbonate; hydrazine hydrate In ethyl acetate at 30 - 120℃; for 2.75h; Temperature; Solvent; Reagent/catalyst; Inert atmosphere; | 95% |
With potassium carbonate; hydrazine hydrate In tetrahydrofuran at -20℃; for 2h; | 90% |
With hydrazine hydrate In diethyl ether for 1h; Acylation; | 82% |
With chloroform; hydrazine hydrate | |
(i) N2H4*H2O, (ii) HCl; Multistep reaction; |
N-benzyloxycarbonylimidazole
N-benzyloxycarbonyl-hydrazine
Conditions | Yield |
---|---|
With hydrazine hydrate In tetrahydrofuran at 20℃; | 95% |
With hydrazine hydrate In dichloromethane at 0 - 20℃; for 1.5h; | 5.78 g |
Conditions | Yield |
---|---|
In diethyl ether at -5 - 20℃; for 2h; | 58% |
hydrazinecarboxylic acid methyl ester
benzyl alcohol
N-benzyloxycarbonyl-hydrazine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide | 39% |
benzyl 4-nitrophenyl carbonate
N-benzyloxycarbonyl-hydrazine
Conditions | Yield |
---|---|
With hydrazine hydrate In dichloromethane at 0 - 20℃; Inert atmosphere; | 24% |
Conditions | Yield |
---|---|
With hydrazine hydrate at 110℃; | |
With hydrazine hydrate auf dem Dampfbad; | |
With hydrazine hydrate In isopropyl alcohol |
A
N-benzyloxycarbonyl-hydrazine
Conditions | Yield |
---|---|
In acetonitrile at 25℃; Equilibrium constant; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: (i) Na, petroleum ether, (ii) /BRN= 471308/, KI, DMF 2: N2H4*H2O / propan-2-ol View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dichloromethane / 1 h / 20 °C 2: hydrazine hydrate / dichloromethane / 1.5 h / 0 - 20 °C View Scheme |
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The Carbobenzoxyhydrazide, with the CAS registry number 5331-43-1, is also known as Carbazic acid, benzyl ester. It belongs to the product category of Phosgene Derivatives. Its EINECS number is 226-230-3. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.18. What's more, its systematic name is Benzyl hydrazinecarboxylate. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It is used to synthetize peptide.
Physical properties of Carbobenzoxyhydrazide are: (1)ACD/LogP: 0.777; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.29; (6)ACD/BCF (pH 7.4): 2.29; (7)ACD/KOC (pH 5.5): 62.81; (8)ACD/KOC (pH 7.4): 63.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.35 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 44.707 cm3; (15)Molar Volume: 138.226 cm3; (16)Polarizability: 17.723 10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.202 g/cm3; (19)Flash Point: 166.255 °C; (20)Enthalpy of Vaporization: 59.598 kJ/mol; (21)Boiling Point: 351.292 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by carbonochloridic acid benzyl ester. This reaction will need reagent hydrazine monohydrate and solvent diethyl ether with the reaction time of 1 hour. The yield is about 82%.
Uses of Carbobenzoxyhydrazide: it can be used to produce N-Methylenbenzylcarbazat by heating. It will need reagent triethylamine and solvent methanol with the reaction time of 2 hours. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical has a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)NN
(2)Std. InChI: InChI=1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
(3)Std. InChIKey: RXUBZLMIGSAPEJ-UHFFFAOYSA-N