Dibenzyl [(E)-1H-pyrazol-1-ylmethylylidene]biscarbamate

Basic Information

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CAS Number

152120-55-3

Molecular Formula

C20H18N4O4

Molecular Weight

378.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

91.0 to 95.0 deg-C

SMILES

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C1=CC=C(C=C1)COC(=O)NC(=NC(=O)OCC2=CC=CC=C2)N3C=CC=N3

InChI

InChI=1S/C20H18N4O4/c25-19(27-14-16-8-3-1-4-9-16)22-18(24-13-7-12-21-24)23-20(26)28-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,25,26)

InChIKey

NRBUVVTTYMTSKM-UHFFFAOYSA-N

LogP

3.554800000000002

Topological Polar Surface Area

98.30000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

542

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

FT-0653373
N,N'-Di-Cbz-pyrazole-1-carboxamidine
N,N'-Di-Cbz-1H-pyrazole-1-carbamidine
SY019071
NRBUVVTTYMTSKM-UHFFFAOYSA-N
152120-55-3
H10263
N,N inverted exclamation mark -Di-Cbz-pyrazole-1-carboxamidine
Benzyl ((((benzyloxy)carbonyl)amino)(1H-pyrazol-1-yl)methylene)carbamate
MFCD02683516
N,N'-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine
N,N'Bis(Bezyloxycarbonyl)1H-pyrazole1carboxamidine
N,N`-Bis-Z-1-Guanylpyrazole
N,N'-bis(benzyloxycarbonyl)-1 H-pyrazole-1-carboxamidine
N,N'-bis-cbz-1h-pyrazole-1-carboxamidine
L-GLUTAMICACIDGAMMA-(P-NITROANILIDE)HYDROCHLORIDE
N,N'-Bis(carbobenzoxy)-1H-pyrazole-1-carboxamidine
Carbamic acid,N-[[[(phenylmethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]-, phenylmethylester
Benzyl ((((benzyloxy)carbonyl)amino)-(1H-pyrazol-1-yl)methylene)carbamate
N,N ′-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine
N,N'-BIS-Z-1-GUANYLPYRAZOLE
1-[N,N'-(Di-Cbz)amidino]pyraz
1-[N,N'-(Di-Cbz)carbamimidoyl]pyrazole
1-[N,N'-Bis(carbobenzoxy)amidino]pyrazole
benzyl (NZ)-N-[phenylmethoxycarbonylamino(pyrazol-1-yl)methylidene]carbamate
Benzyl,(((benzyloxy)carbonyl)amino)(1H-pyrazol-1-yl)methylene)carbamate
N,N'-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboximidamide
N,N'-Bis(carbobenzoxy)-1H-pyrazole-1-carboximidamide
N,N'-Di-Cbz-1H-pyrazole-1-carboximidamide
1-[N,N'-Bis(carbobenzoxy)carbamimidoyl]pyrazole
1-[N,N'-(Di-Cbz)amidino]pyrazole

MDL Number

MFCD02683516

Customs Code

2933199090

FAQ

What are the physical and chemical properties of Dibenzyl [(E)-1H-pyrazol-1-ylmethylylidene]biscarbamate (CAS: 152120-55-3)?

Dibenzyl [(E)-1H-pyrazol-1-ylmethylylidene]biscarbamate is a crystalline solid with a molecular weight of approximately 458.47 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. Chemically, it is highly reactive, particularly towards nucleophiles, and can undergo various reactions such as nucleophilic substitution and condensation.

How is Dibenzyl [(E)-1H-pyrazol-1-ylmethylylidene]biscarbamate (CAS: 152120-55-3) typically synthesized?

Dibenzyl [(E)-1H-pyrazol-1-ylmethylylidene]biscarbamate is typically synthesized by the condensation of 1,3-dibenzylcarbamate with 1H-pyrazole-1-ylmethyl azide. The reaction proceeds under basic conditions using sodium hydride as a catalyst. The product is isolated by filtration and recrystallization from an appropriate solvent.

What industries use Dibenzyl [(E)-1H-pyrazol-1-ylmethylylidene]biscarbamate (CAS: 152120-55-3)?

Dibenzyl [(E)-1H-pyrazol-1-ylmethylylidene]biscarbamate is primarily used in the pharmaceutical industry for the synthesis of various heterocyclic compounds. It also finds applications in the polymer industry for the modification of polymers and in the sensor industry for the development of gas-sensitive materials.

What precautions should be taken when handling Dibenzyl [(E)-1H-pyrazol-1-ylmethylylidene]biscarbamate (CAS: 152120-55-3)?

When handling Dibenzyl [(E)-1H-pyrazol-1-ylmethylylidene]biscarbamate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.