(S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate

Basic Information

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CAS Number

87219-29-2

Molecular Formula

C12H13NO4

Molecular Weight

235.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

103.0 to 107.0 deg-C

Boiling Point

466°C at 760 mmHg

Density

1.27

Flash Point

235.7±28.4 °C

Refractive Index

1.561

SMILES

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O=C(OCC1=CC=CC=C1)N[C@@H](C2)COC2=O

InChI

1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1

InChIKey

BNIBNUOPVTZWRT-JTQLQIEISA-N

LogP

1.2283000000000002

Topological Polar Surface Area

64.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

286

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate
Benzyl (S)-(?-tetrahydro-5-oxo-3-furanylcarbamate
(S)-Benzyl-5-oxo-tetrahydro-furan-3-ylcarbamate
Carbamic acid, [(3S)-tetrahydro-5-oxo-3-furanyl]-, phenylmethyl ester (9CI)
(S)-(Tetrahydro-5-oxo-3-furanyl)carbamic acid phenylmethyl ester
(S)-3-[(benzyloxycarbonyl)amino]-g-butyrolactone
(S)-beta-(Carbobenzoxyamino)-gamma-butyrolactone
(S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate
Benzyl (S)-(?)-tetrahydro-5-oxo-3-furanylcarbamate
benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate
Cbz-S-3-Amino-γ-butyrolactone
(S)-β-(Benzyloxycarbonylamino)-γ-butyrolactone
(S)-4-(Benzyloxycarbonylamino)tetrahydrofuran-2-one
Benzyl (S)-Tetrahydro-5-oxo-3-furanylcarbamate
(S)-4-(Carbobenzoxyamino)tetrahydrofuran-2-one
(S)-β-(Cbz-amino)-γ-butyrolactone
(S)-4-(Cbz-amino)tetrahydrofuran-2-one
Carbamic acid, (tetrahydro-5-oxo-3-furanyl)-, phenylmethyl ester, (S)- (ZCI)
Phenylmethyl N-[(3S)-tetrahydro-5-oxo-3-furanyl]carbamate (ACI)
(S)-3-[(Benzyloxycarbonyl)amino]-γ-butryolactone

MDL Number

MFCD00216569

Customs Code

2932190090

FAQ

What regulatory guidelines apply to (S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS: 87219-29-2)?

Regulatory guidelines for (S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS: 87219-29-2) include GHS classification, which categorizes the compound based on its health and environmental hazards. REACH regulations in the EU require manufacturers and importers to register chemicals, including this compound, to ensure they are safe for use. Additionally, the FDA and EPA may have specific requirements for handling, storage, and disposal, especially if it is used in pharmaceutical or agricultural applications.

Are there alternatives to (S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS: 87219-29-2) in synthesis?

There are various alternatives to (S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS: 87219-29-2) that can be used in synthesis, depending on the desired application. For instance, other derivatives of benzyl carbamates or different cyclic structures can serve as suitable alternatives. Common substitutes include (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate and similar cyclic carbamates. These alternatives offer similar functionalities but may have different reactivity and synthetic utility.

What is the market or research trend for (S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS: 87219-29-2)?

The market and research trends for (S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS: 87219-29-2) are driven by its potential applications in pharmaceuticals and agrochemicals. Recent research focuses on its use as a starting material for the synthesis of complex molecules and as an intermediate in drug discovery. Market trends indicate increasing demand due to its versatility in organic synthesis and its role in developing new chemical entities.

How should waste containing (S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS: 87219-29-2) be handled?

Waste containing (S)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate (CAS: 87219-29-2) should be collected and disposed of in accordance with local environmental and safety regulations. It is advisable to use appropriate waste collection methods, such as sealed containers, to prevent spillage and exposure. For disposal, professional waste disposal services should be utilized, as this compound may require specialized incineration or chemical treatment to ensure proper environmental protection. Always refer to the latest safety data sheet (SDS) for specific handling instructions.