(+/-)-N-3-Benzylnirvanol

Basic Information

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CAS Number

93879-40-4

Molecular Formula

C18H18N2O2

Molecular Weight

294.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

134-136°C

SMILES

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CCC1(C(=O)N(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)

InChIKey

ZMZDHUHMXXALFX-UHFFFAOYSA-N

LogP

3.0439000000000016

Topological Polar Surface Area

49.410000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

425

Synonyms & References

English

(+/-)-N-3-Benzylnirvanol
3-Benzyl-5-ethyl-5-phenyl-hydantoi
5-Ethyl-5-phenyl-3-(phenylmethyl)-2,4-imidazolidinedione
3-Benzyl-5-ethyl-5-phenyl-hydantoin
(+/-)-N-3-benzyl-Nirvanol
3-Benzyl-5-aethyl-5-phenyl-hydantoin
3-benzyl-5-ethyl-5-phenyl-imidazolidine-2,4-dione
5-Aethyl-3-benzyl-5-phenyl-imidazolidin-2,4-dion
5-ethyl-3-benzyl-5-phenyl-imidazolidine-2,4-dione
(±)-N-3-Benzylnirvanol
5-Ethyl-5-phenyl-3-(phenylmethyl)-2,4-imidazolidinedione (ACI)
Hydantoin, 3-benzyl-5-ethyl-5-phenyl- (7CI)
3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
HY-137258
MS-24216
N-3-benzyl-nirvanol
CS-0137373
5-ethyl-5-phenyl-3-(phenylmethyl)-2,4-imidazolidinedione
BDBM50267075
3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
AKOS016988032
DL-N-3-Benzylnirvanol
93879-40-4
DB-252346
F87599
Z14070732
( inverted exclamation markA)-N-3-Benzylnirvanol
5-ETHYL-5-PHENYL-3-BENZYL-2,4-IMIDAZOLIDINEDIONE
HMS1736F10
3-Benzyl-5-ethyl-5-phenyl-2,4-imidazolidinedione
CHEMBL477946

MDL Number

MFCD07353973

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (+/-)-N-3-Benzylnirvanol (CAS: 93879-40-4)?

The (+/-)-N-3-Benzylnirvanol (CAS: 93879-40-4) is a crystalline solid with a molecular weight of approximately 246.26 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive towards bases and nucleophiles. It can be used as a chiral building block in organic synthesis due to its structural complexity and functional groups.

How is (+/-)-N-3-Benzylnirvanol (CAS: 93879-40-4) typically synthesized?

The (+/-)-N-3-Benzylnirvanol (CAS: 93879-40-4) is typically synthesized through a multistep process involving the protection of the hydroxyl group, subsequent benzyl substitution, and deprotection. Common catalysts such as palladium and ligands are used to enhance selectivity and yield. This process ensures the formation of the desired stereoisomer with high chemical purity.

What industries use (+/-)-N-3-Benzylnirvanol (CAS: 93879-40-4)?

The (+/-)-N-3-Benzylnirvanol (CAS: 93879-40-4) is primarily used in the pharmaceutical industry as a chiral building block for the synthesis of drugs. It is also used in the polymer industry for creating advanced materials and in the sensor industry for developing highly sensitive detection devices. Its unique structure makes it valuable in semiconductor applications for its potential in electronic properties.

What precautions should be taken when handling (+/-)-N-3-Benzylnirvanol (CAS: 93879-40-4)?

When handling (+/-)-N-3-Benzylnirvanol (CAS: 93879-40-4), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a fume hood to minimize inhalation risks. In case of spills, immediately clean up using absorbent materials and follow proper disposal procedures. Always consult the Safety Data Sheet (SDS) for detailed handling and storage instructions.