(3S)-1-Benzyl-3-pyrrolidinamine

Basic Information

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CAS Number

114715-38-7

Molecular Formula

C11H16N2

Molecular Weight

176.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Boiling Point

100-105 °C/3 mmHg

Flash Point

>110 ºC

Refractive Index

n20/D 1.5450(lit.)

Specific Rotation

1.99 º (neat)

SMILES

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C1CN(CC1N)CC2=CC=CC=C2

InChI

InChI=1S/C11H16N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2/t11-/m0/s1

InChIKey

HBVNLKQGRZPGRP-NSHDSACASA-N

LogP

1.2195999999999994

Topological Polar Surface Area

29.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

152

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

Hazard Class

Class 8 Class 8

Sensitiveness

Air Sensitive

Synonyms & References

English

DTXSID401346689
A1174
AKOS015839157
(S)-1-benzylpyrrolidin-3-ylamine
(S)-(+)-1-Benzyl-3-aminopyrrolidine
(S)-3-Aaminomethyl-1-benzylpyrrolidine
3-PYRROLIDINAMINE, 1-(PHENYLMETHYL)-, (3S)-
FS-2113
(S)-3-amino-1-benzyl pyrrolidine
(3S)-1-benzylpyrrolidin-3yl amine
(3S)-1-benzylpyrrolidin-3-ylamine
Q-102159
MFCD00082766
(S)-N-Benzyl-3-aminopyrrolidine
AM802954
(S)-1-BENZYL-PYRROLIDIN-3-YLAMINE
(s)-1-benzylpyrrolidin-3-amine
(3S)-1-benzyl-3-pyrrolidinamine
(s)-3-amino-1-benzylpyrrolidine
A14013
C11H16N2
(3-S)-1-Benzyl-3-aminopyrrolidine
Q-102152
(S)-1-(phenylmethyl)-3-pyrrolidinamine
SCHEMBL330609
(s)-3-amino-1-n-benzyl-pyrrolidine
(3S)-(+)-1-Benzyl-3-aminopyrrolidine
(s)-1-benzyl-3-aminopyrrolidine
EN300-306085
(3S)-1-benzyl-3-aminopyrrolidine
DS-14097

MDL Number

MFCD00082766

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (3S)-1-Benzyl-3-pyrrolidinamine (CAS: 114715-38-7)?

(3S)-1-Benzyl-3-pyrrolidinamine is a crystalline compound with a molecular weight of approximately 214.28 g/mol. It is poorly soluble in water but soluble in organic solvents. This compound exhibits moderate reactivity, particularly towards nucleophiles. It is commonly used as a chiral auxiliary in organic synthesis.

How is (3S)-1-Benzyl-3-pyrrolidinamine (CAS: 114715-38-7) typically synthesized?

(3S)-1-Benzyl-3-pyrrolidinamine can be synthesized through the condensation of benzylamine and pyrrolidine using a suitable base such as sodium hydride. The reaction is conducted under anhydrous conditions to enhance yield and selectivity. The product is isolated by recrystallization from an appropriate solvent.

What industries use (3S)-1-Benzyl-3-pyrrolidinamine (CAS: 114715-38-7)?

(3S)-1-Benzyl-3-pyrrolidinamine is utilized in the pharmaceutical industry as a chiral auxiliary for enantioselective synthesis. It is also found in the polymer industry for the synthesis of chiral monomers and in the semiconductors industry for the preparation of chiral ligands for metal complexes.

What precautions should be taken when handling (3S)-1-Benzyl-3-pyrrolidinamine (CAS: 114715-38-7)?

When handling (3S)-1-Benzyl-3-pyrrolidinamine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a laboratory coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled with care in a fume hood, and all safety data sheets (SDS) should be consulted for detailed procedures.