(3S,4S)-1-benzylpyrrolidine-3,4-diol

Basic Information

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CAS Number

90365-74-5

Molecular Formula

C11H15NO2

Molecular Weight

193.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

94-100 °C

Boiling Point

329.46°C (rough estimate)

Density

1.0945 (rough estimate)

Refractive Index

1.5041 (estimate)

Specific Rotation

33.6 º (c=1.05% in methanol)

SMILES

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C1C(C(CN1CC2=CC=CC=C2)O)O

InChI

InChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m0/s1

InChIKey

QJRIUWQPJVPYSO-QWRGUYRKSA-N

LogP

0.22400000000000003

Topological Polar Surface Area

43.7 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

170

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol
(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidinediol
(3S,4S)-1-Benzylpyrrolidine-3,4-diol
(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol,GC
(3S,4S)-(+)-benzyl-3,4-pyrrolidindiol
(3S,4S)-1-(phenylMethyl)-3,4
(3S,4S)-1-benzyl-3,4-dihydroxypyrrolidine
(3S,4S)-1-Benzyl-3,4-pyrrolidinediol
(3S,4S)-1-BENZYL-PYRROLIDINE-3,4-DIOL
(3S,4S)-1-N-benzyl-3,4-dihydroxypyrrolidine
(3S,4S)-3,4-dihydroxy-N-benzylpyrrolidine
(3S,4S)-N-benzyl-3,4-dihydroxypyrrolidine
N-benzyl-(3S,4S)-3,4-dihydroxypyrrolidine
3,4-Pyrrolidinediol, 1-(phenylmethyl)-, (3S,4S)-
(3S,4S)-(-)-1-Benzyl-3,4-pyrrolidindiol
PubChem18732
QJRIUWQPJVPYSO-QWRGUYRKSA-N
LS30148
(3S,4S)-1-Benzyl-3,4-pyrrolidindiol
DS
(3S,4S)-1-(Phenylmethyl)-3,4-pyrrolidinediol (ACI)
3,4-Pyrrolidinediol, 1-(phenylmethyl)-, (3S-trans)- (ZCI)
(+)-(3S,4S)-1-(Phenylmethyl)-3,4-pyrrolidinediol
(3S,4S)-1-Benzyl-pyrrolidin-3,4-diol
(3S,4S)-N-Benzyl-3,4-dihydroxypyrrolidine
1-Benzyl-3,4-(S,S)-dihydroxypyrrolidine
(3S,4S)-1-benzylpyrrolidine-3,4-diol
CHEMBL2335510
AKOS015839146
BP-12368
CS-W015772

MDL Number

MFCD01073893

Customs Code

29339900

FAQ

What regulatory guidelines apply to (3S,4S)-1-benzylpyrrolidine-3,4-diol (CAS: 90365-74-5)?

The (3S,4S)-1-benzylpyrrolidine-3,4-diol (CAS 90365-74-5) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA guidelines in the USA. It is classified as a hazardous substance due to its potential to cause skin and eye irritation. Manufacturers and importers must provide Safety Data Sheets (SDS) and labels adhering to GHS standards. REACH requires manufacturers to register substances above a certain tonnage, and the FDA and EPA may have specific labeling and documentation requirements for its use in pharmaceuticals and environmental releases.

Are there alternatives to (3S,4S)-1-benzylpyrrolidine-3,4-diol (CAS: 90365-74-5) in synthesis?

Alternative reagents to (3S,4S)-1-benzylpyrrolidine-3,4-diol (CAS 90365-74-5) include various cyclic amines and diols with different functional groups. For instance, (3S,4S)-1-phenethylpyrrolidine-3,4-diol or (3S,4S)-1-methylbenzylpyrrolidine-3,4-diol can serve as effective substitutes depending on the desired properties. These alternatives offer similar reactivity and can be synthesized using analogous methods, providing flexibility in synthetic approaches.

What is the market or research trend for (3S,4S)-1-benzylpyrrolidine-3,4-diol (CAS: 90365-74-5)?

The market for (3S,4S)-1-benzylpyrrolidine-3,4-diol (CAS 90365-74-5) is primarily driven by its use in pharmaceuticals, particularly in the development of non-peptide protease inhibitors. Research is trending towards exploring its potential in drug discovery for treating diseases such as cancer and inflammation. Market trends indicate a growing interest in sustainable and eco-friendly synthesis methods, as well as the development of safer alternatives to traditional reagents. Additionally, there is increasing emphasis on the development of prodrugs and prodrug strategies to enhance its therapeutic efficacy.

How should waste containing (3S,4S)-1-benzylpyrrolidine-3,4-diol (CAS: 90365-74-5) be handled?

Waste containing (3S,4S)-1-benzylpyrrolidine-3,4-diol (CAS 90365-74-5) should be collected and stored in a sealed container to prevent environmental release. It should be disposed of according to local regulations, which may include incineration or professional waste disposal services. Proper protective gear, such as gloves and goggles, should be worn during handling. Environmental protection measures include ensuring that any spills are contained and cleaned up immediately to avoid soil and water contamination. Safe disposal practices are critical to minimize the risk to human health and the environment.