[(3S)-1-Benzyl-3-pyrrolidinyl]methanol

Basic Information

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CAS Number

78914-69-9

Molecular Formula

C12H17NO

Molecular Weight

191.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Boiling Point

274.9±15.0 ºC (760 Torr),

Density

1.082±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

115.4±19.0 ºC,

SMILES

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C1CN(CC1CO)CC2=CC=CC=C2

InChI

InChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m0/s1

InChIKey

QPQQBJDSKDWQMJ-LBPRGKRZSA-N

LogP

1.5008

Topological Polar Surface Area

23.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

166

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

SCHEMBL5968994
AC-29341
A864948
78914-69-9
MFCD09608006
AM20120539
(S)-1-Benzyl-beta-prolinol
AS-81896
(S)-(1-Benzyl-pyrrolidin-3-yl)-methanol
AKOS006331270
CS-0171340
TS-02702
DTXSID90363858
(S)-(1-Benzylpyrrolidin-3-yl)methanol
[(3S)-1-benzylpyrrolidin-3-yl]methanol
(S)-1-BENZYL-BETA-PROLINOL
3-Pyrrolidinemethanol,1-(phenylmethyl)-, (3S)-

MDL Number

MFCD09608006

Customs Code

2933990090

FAQ

What are the physical and chemical properties of [(3S)-1-Benzyl-3-pyrrolidinyl]methanol (CAS: 78914-69-9)?

[(3S)-1-Benzyl-3-pyrrolidinyl]methanol (CAS: 78914-69-9) is a colorless to slightly yellow crystalline solid with a molecular weight of approximately 229.25 g/mol. It is slightly soluble in water and more soluble in organic solvents. The compound exhibits basic properties due to its pyrrolidinone moiety and is mildly reactive, particularly in the presence of acids or bases. It is stable under normal conditions but should be stored in a cool, dry place away from strong oxidizers and incompatible materials.

How is [(3S)-1-Benzyl-3-pyrrolidinyl]methanol (CAS: 78914-69-9) typically synthesized?

[(3S)-1-Benzyl-3-pyrrolidinyl]methanol can be synthesized via a multi-step process involving the reaction of benzylamine with pyrrolidone, followed by methylation. Commonly, this involves the use of a phase transfer catalyst such as tetrabutylammonium bromide to facilitate the reaction. The overall yield is moderate, and the product can be isolated by recrystallization from an appropriate solvent. Care should be taken to ensure the reaction conditions are optimal for selectivity and yield.

What industries use [(3S)-1-Benzyl-3-pyrrolidinyl]methanol (CAS: 78914-69-9)?

[(3S)-1-Benzyl-3-pyrrolidinyl]methanol (CAS: 78914-69-9) finds applications in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also used in the polymer industry as a crosslinking agent and in the manufacturing of certain sensors. The compound’s unique chemical properties make it suitable for various applications, including the production of semiconductors and other advanced materials.

What precautions should be taken when handling [(3S)-1-Benzyl-3-pyrrolidinyl]methanol (CAS: 78914-69-9)?

When handling [(3S)-1-Benzyl-3-pyrrolidinyl]methanol (CAS: 78914-69-9), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or under a fume hood to minimize inhalation risks. Spills should be cleaned up carefully, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information to ensure safety during laboratory operations.