CAS No.5331-43-1,Carbobenzoxyhydrazide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5331-43-1
Name:	Carbobenzoxyhydrazide
Article Data:	15

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

Synthetic route

: 202980-89-0
C11H11Cl3N2O4

: 5331-43-1
N-benzyloxycarbonyl-hydrazine

Conditions

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%

: 501-53-1
benzyl chloroformate

: 5331-43-1
N-benzyloxycarbonyl-hydrazine

Conditions

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;

: 22129-07-3
N-benzyloxycarbonylimidazole

: 5331-43-1
N-benzyloxycarbonyl-hydrazine

Conditions

Conditions	Yield
With hydrazine hydrate In tetrahydrofuran at 20℃;	95%
With hydrazine hydrate In dichloromethane at 0 - 20℃; for 1.5h;	5.78 g

: 7803-57-8
hydrazine hydrate

: 501-53-1
benzyl chloroformate

: 5331-43-1
N-benzyloxycarbonyl-hydrazine

Conditions

Conditions	Yield
In diethyl ether at -5 - 20℃; for 2h;	58%

: 6294-89-9
hydrazinecarboxylic acid methyl ester

: 100-51-6
benzyl alcohol

: 5331-43-1
N-benzyloxycarbonyl-hydrazine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide	39%

: 13795-24-9
benzyl 4-nitrophenyl carbonate

: 5331-43-1
N-benzyloxycarbonyl-hydrazine

Conditions

Conditions	Yield
With hydrazine hydrate In dichloromethane at 0 - 20℃; Inert atmosphere;	24%

: 3459-92-5
DBC

: 5331-43-1
N-benzyloxycarbonyl-hydrazine

Conditions

Conditions	Yield
With hydrazine hydrate at 110℃;
With hydrazine hydrate auf dem Dampfbad;
With hydrazine hydrate In isopropyl alcohol

: (5-Ethyl-3,7,8,10-tetramethyl-2,4-dioxo-3,4,5,10-tetrahydro-2H-benzo[g]pteridin-4a-yl)-carbamic acid benzyl ester

A: 5331-43-1
N-benzyloxycarbonyl-hydrazine

B: 5-ethyl-10-methyl-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridin-5-ium perchlorate

Conditions

Conditions	Yield
In acetonitrile at 25℃; Equilibrium constant;

: 100-44-7
benzyl chloride

sodium compound of α-naphthol: sodium compound of α-naphthol

: 5331-43-1
N-benzyloxycarbonyl-hydrazine

Conditions

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

: 100-51-6
benzyl alcohol

: 5331-43-1
N-benzyloxycarbonyl-hydrazine

Conditions

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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Specification

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%.

Carbobenzoxyhydrazide can be prepared by carbonochloridic acid benzyl ester

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%.

Carbobenzoxyhydrazide can be used to produce N-Methylenbenzylcarbazat by heating

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