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Benzyl carbazate

CAS# 5331-43-1

Benzyl carbazate

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Chemical structure

Benzyl carbazate

3D structure

Chemical Properties of Benzyl carbazate

Cas No. 5331-43-1 SDF Download SDF
PubChem ID 79242 Appearance Powder
Formula C8H10N2O2 M.Wt 166
Type of Compound N/A Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Chemical Name benzyl N-aminocarbamate
SMILES C1=CC=C(C=C1)COC(=O)NN
Standard InChIKey RXUBZLMIGSAPEJ-UHFFFAOYSA-N
Standard InChI InChI=1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Benzyl carbazate Dilution Calculator

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Benzyl carbazate Molarity Calculator

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Preparing Stock Solutions of Benzyl carbazate

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 6.0241 mL 30.1205 mL 60.241 mL 120.4819 mL 150.6024 mL
5 mM 1.2048 mL 6.0241 mL 12.0482 mL 24.0964 mL 30.1205 mL
10 mM 0.6024 mL 3.012 mL 6.0241 mL 12.0482 mL 15.0602 mL
50 mM 0.1205 mL 0.6024 mL 1.2048 mL 2.4096 mL 3.012 mL
100 mM 0.0602 mL 0.3012 mL 0.6024 mL 1.2048 mL 1.506 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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References on Benzyl carbazate

New cobalt(II) and nickel(II) complexes of benzyl carbazate Schiff bases: Syntheses, crystal structures, in vitro DNA and HSA binding studies.[Pubmed:27816644]

J Photochem Photobiol B. 2016 Dec;165:220-231.

In the present study, new Schiff base complexes with the composition [M(NCS)2(L1)2].nH2O, where M=Co (n=0) (1) and Ni (n=2) (2); [M(NCS)2(L2)2], M=Co (3) and Ni (4) as well as [M(NCS)2(L3)2], M=Co (5) and Ni (6); (L1=benzyl 2-(propan-2-ylidene)hydrazinecarboxylate, L2=benzyl 2-(butan-2-ylidene)hydrazinecarboxylate and L3=benzyl 2-(pentan-3-ylidene)hydrazinecarboxylate) have been synthesized by a template method. The complexes were characterised by analytical methods, spectroscopic studies, thermal and X-ray diffraction techniques. The structures of all the complexes explore that the metal(II) cation has a trans-planar coordination environment, the monomeric units containing a six-coordinated metal center in octahedral geometry with N-bound isothiocyanate anions coordinated as terminal ligands. Furthermore, the binding of the two Schiff base ligands to the metal centers involves the azomethine nitrogen and the carbonyl oxygen in mutually trans configuration. The binding interactions of all the complexes with Calf thymus-deoxyribonucleic acid (CT-DNA) and human serum albumin (HSA) have been investigated using absorption and emission spectral techniques. The CT-DNA binding properties of these complexes reveal that they bind to CT-DNA through a partial intercalation mode and the binding constant values were calculated using the absorption and emission spectral data. The binding constant values (~10x10(6)moldm(-3)) indicate strong binding of metal complexes with CT-DNA. HSA binding interaction studies showed that the cobalt and nickel complexes can quench the intrinsic fluorescence of HSA through static quenching process. Also, molecular docking studies were supported out to apprehend the binding interactions of these complexes with DNA and HSA which offer new understandings into the experimental model observations.

Intramolecular Alkene Aminocarbonylation Using Concerted Cycloadditions of Amino-Isocyanates.[Pubmed:27112602]

Chemistry. 2016 Jun 1;22(23):7906-16.

The ubiquity of nitrogen heterocycles in biologically active molecules challenges synthetic chemists to develop a variety of tools for their construction. While developing metal-free hydroamination reactions of hydrazine derivatives, it was discovered that carbazates and semicarbazides can also lead to alkene aminocarbonylation products if nitrogen-substituted isocyanates (N-isocyanates) are formed in situ as reactive intermediates. At first this reaction required high temperatures (150-200 degrees C), and issues included competing hydroamination and N-isocyanate dimerization pathways. Herein, improved conditions for concerted intramolecular alkene aminocarbonylation with N-isocyanates are reported. The use of betaN-Benzyl carbazate precursors allows the effective minimization of N-isocyanate dimerization. Diminished dimerization leads to higher yields of alkene aminocarbonylation products, to reactivity at lower temperatures, and to an improved scope for a reaction sequence involving alkene aminocarbonylation followed by 1,2-migration of the benzyl group. Furthermore, fine-tuning of the blocking (masking) group on the N-isocyanate precursor, and reaction conditions relying on base catalysis for N-isocyanate formation from simpler precursors resulted in room temperature reactivity, consequently minimizing the competing hydroamination pathway. Collectively, this work highlights that controlled reactivity of aminoisocyanates is possible, and provides a broadly applicable alkene aminocarbonylation approach to heterocycles possessing the beta-aminocarbonyl motif.

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