Benzyl (3R)-3-amino-1-pyrrolidinecarboxylate

Basic Information

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CAS Number

122536-73-6

Molecular Formula

C12H16N2O2

Molecular Weight

220.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

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

310-316 °C

Boiling Point

315 °C

Refractive Index

n20/D 1.548

SMILES

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C1CN(CC1N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2/t11-/m1/s1

InChIKey

FPXJNSKAXZNWMQ-LLVKDONJSA-N

LogP

1.3562

Topological Polar Surface Area

55.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

239

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

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

Sensitiveness

Air Sensitive

Synonyms & References

English

AC-1129
(S)-1-(Benzyloxycarbonyl)-3-aminopyrrolidine;
1-Pyrrolidinecarboxylic acid, 3-amino-, phenylmethyl ester, (R)-
(R)-(-)-1-Cbz-3-aminopyrrolidine
SCHEMBL6524693
AKOS015854218
CS-W013141
(R)-benzyl 3-aminopyrrolidine-1-carboxylate
(3R)-1-N-Cbz-3-Aminopyrrolidine
benzyl (3R)-3-aminopyrrolidine-1-carboxylate
(R)-3-Amino-1-N-Cbz-pyrrolidine
AM91186
DS-12281
(R)-3-AMINO-1-CBZ-PYRROLIDINE
A13620
122536-73-6
1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-, PHENYLMETHYL ESTER, (3R)-
MFCD05864624
(R)-benzyl 3-aminopyrrolidine-1-carboxylate;(R)-3-AMINO-1-N-CBZ-PYRROLIDINE
Q-102157
(R)-(-)-1-Cbz-3-aminopyrrolidine, 97%
(R)-BENZYL-3-AMINOPYRROLIDINE-1-CARBOXYLATE
(R)-(-)-1-CBZ-3-AMINOPYRROLIDINE
(R)-1-BENZYLOXYCARBONYL-3-AMINOPYRROLIDINE
(R)-3-AMINO-1-N-CBZ-PYRROLIDINE
(R)-3-AMINO-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
(R)-N-Cbz-3-aminopyrrolidine
(R)-(-)-3-Amino-1-(benzyloxycarbonyl)pyrrolidine
(R)-(?)-1-Cbz-3-aminopyrrolidine
(R)-1-Cbz-3-aminopyrrolidine
(R)-1-Cbz-3-amipyrrolidine

MDL Number

MFCD22375030

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Benzyl (3R)-3-amino-1-pyrrolidinecarboxylate (CAS: 122536-73-6)?

Benzyl (3R)-3-amino-1-pyrrolidinecarboxylate (CAS: 122536-73-6) is a crystalline solid with a molecular weight of approximately 227.26 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and DMSO. The compound is reactive, particularly towards nucleophiles, and shows good stability under normal storage conditions.

How is Benzyl (3R)-3-amino-1-pyrrolidinecarboxylate (CAS: 122536-73-6) typically synthesized?

Benzyl (3R)-3-amino-1-pyrrolidinecarboxylate (CAS: 122536-73-6) can be synthesized via the condensation of benzylamine with 3-hydroxy-1-pyrrolidinecarboxylic acid. The reaction is typically catalyzed by an acid or base, and the yield can be enhanced by using a suitable solvent and optimizing reaction conditions. The process is selective and efficient.

What industries use Benzyl (3R)-3-amino-1-pyrrolidinecarboxylate (CAS: 122536-73-6)?

Benzyl (3R)-3-amino-1-pyrrolidinecarboxylate (CAS: 122536-73-6) is primarily used in the pharmaceutical industry for its role as an intermediate in the synthesis of various drug candidates. It is also utilized in the development of certain polymer materials and in the production of sensors and semiconductors.

What precautions should be taken when handling Benzyl (3R)-3-amino-1-pyrrolidinecarboxylate (CAS: 122536-73-6)?

When handling Benzyl (3R)-3-amino-1-pyrrolidinecarboxylate (CAS: 122536-73-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, use appropriate spill kits and follow safety data sheet (SDS) guidelines for disposal. Always work in a fume hood to minimize exposure to vapors.