(3S)-1-Benzyl-3-methylpyrrolidine

Basic Information

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CAS Number

101385-90-4

Molecular Formula

C12H17N

Molecular Weight

177.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Liquid

Boiling Point

120°C/1.5mmHg

Refractive Index

n20/D 1.548(lit.)

Specific Rotation

-3.7 º (c=5, MeOH)

SMILES

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C1CN(CC1O)CC2=CC=CC=C2

InChI

InChI=1S/C12H17N/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m0/s1

InChIKey

MJIUUKUNEAAVEV-NSHDSACASA-N

LogP

1.2532

Topological Polar Surface Area

23.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

154

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

(S)-(-)-1-Benzyl-3-pyrrolidinol, 99%
(s)-1-n-benzyl-3-hydroxypyrrolidine
N-benzyl-3-(S)-hydroxypyrrolidine
CS-W017360
(3S)-1-Benzyl-pyrrolidin-3-ol
AKOS005146005
(S)-1-phenylmethyl-3-hydroxypyrrolidine
(s)-1-benzyl-pyrrolidin-3-ol
(S)-N-Benzyl-3-hydroxypyrrolidine
1-Benzyl-3-pyrrolidinol #
EN300-1724099
AS-30792
(S)(-)-1-benzyl-3-pyrrolidinol
MFCD00075485
(s)-(-)-1-benzyl-3-hydroxypyrrolidine
F0001-0061
(S)-1-Benzyl-3-pyrrolidinol
(S)-1-Benzylpyrrolidin-3-ol
(s)-3-hydroxy-1-benzylpyrrolidine
(3S)-1-benzylpyrrolidin-3-ol
(S)-1-Benzyl-3-hydroxypyrrolidine
(3S)-1-BENZYL-3-HYDROXYPYRROLIDINE
101385-90-4
(s)-n-benzyl-3-pyrrolidinol
3-Pyrrolidinol, 1-(phenylmethyl)-, (3S)-
AM90422
(3S)-1-(phenylmethyl)-3-pyrrolidinol
(S)-(-)-1-Benzyl-3-pyrrolidinol
Q-102852
B1533
SCHEMBL608225

MDL Number

MFCD00075485

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (3S)-1-Benzyl-3-methylpyrrolidine (CAS: 101385-90-4)?

The (3S)-1-Benzyl-3-methylpyrrolidine (CAS: 101385-90-4) is subject to various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations for the European market, and FDA/EPA safety standards for pharmaceutical and industrial applications. Ensure compliance with local and national regulations governing its use, handling, and disposal.

Are there alternatives to (3S)-1-Benzyl-3-methylpyrrolidine (CAS: 101385-90-4) in synthesis?

Alternatives to (3S)-1-Benzyl-3-methylpyrrolidine (CAS: 101385-90-4) in synthesis include similar heterocyclic compounds like (3R)-1-Benzyl-3-methylpyrrolidine and other cyclic amines. Common alternative reagents in synthesis include benzylamine and methyl pyrrolidone, which can serve as functional equivalents in various chemical reactions.

What is the market or research trend for (3S)-1-Benzyl-3-methylpyrrolidine (CAS: 101385-90-4)?

The market for (3S)-1-Benzyl-3-methylpyrrolidine (CAS: 101385-90-4) shows steady growth driven by its applications in pharmaceuticals and fine chemicals. Research trends focus on its use as a chiral intermediate and in the development of new drug candidates. Price trends remain stable, with demand primarily driven by industrial and research needs.

How should waste containing (3S)-1-Benzyl-3-methylpyrrolidine (CAS: 101385-90-4) be handled?

Waste containing (3S)-1-Benzyl-3-methylpyrrolidine (CAS: 101385-90-4) should be collected and disposed of in accordance with local regulations. Proper waste management involves safe collection, storage in sealed containers, and disposal through professional hazardous waste facilities. Ensure all handling procedures comply with environmental protection standards to prevent contamination and ensure safe disposal.