Benzyl (3S)-3-amino-1-pyrrolidinecarboxylate hydrochloride (1:1)

Basic Information

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CAS Number

550378-39-7

Molecular Formula

C12H17ClN2O2

Molecular Weight

256.73 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

No data available

Boiling Point

No data available

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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

InChI

InChI=1S/C12H16N2O2.ClH/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H/t11-;/m0./s1

InChIKey

QNQVBYGRFHOBNO-MERQFXBCSA-N

LogP

1.7779999999999996

Topological Polar Surface Area

55.559999999999995 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

239

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

Q-102883
(S)-3-Amino-1-N-Cbz-pyrrolidine hydrochloride
(S)-1-Cbz-3-Aminopyrrolidinehydrochloride
C12H17ClN2O2
MFCD06796559
benzyl (3S)-3-aminopyrrolidine-1-carboxylate, HCl
AKOS005256562
(S)-3-Amino-1-carbobenzoxypyrrolidine Hydrochloride
(S)-1-Cbz-3-Aminopyrrolidine HCl
A7979
550378-39-7
DTXSID00609931
QNQVBYGRFHOBNO-MERQFXBCSA-N
(S)-(+)-1-Cbz-3-aminopyrrolidine HCl salt
CS-W010180
(S)-benzyl 3-aminopyrrolidine-1-carboxylate hydrochloride
benzyl (3S)-3-aminopyrrolidine-1-carboxylate;hydrochloride
(S)-1-N-Cbz-3-Aminopyrrolidine HCl
SCHEMBL716733
Benzyl (3S)-3-aminopyrrolidine-1-carboxylate--hydrogen chloride (1/1)
(S)-1-Cbz-3-Aminopyrrolidine hydrochloride
(S)-3-Amino-1-N-Cbz-pyrrolidinehydrochloride
(S)-3-Amino-1-Cbz-pyrrolidine Hydrochloride
AC-1380
benzyl (3S)-3-aminopyrrolidine-1-carboxylate hydrochloride
DS-13093
(S)-3-Amino-1-N-cbz-pyrrolidine HCl
S-3-Amino-1-Cbz-pyrrolidine hydrochloride
1-Pyrrolidinecarboxylic acid, 3-amino-, phenylmethyl ester, hydrochloride (1:1), (3S)-
benzyl (3S)-3-aminopyrrolidine-1-carboxylate,hydrochloride
(S)-3-Amino-1-benzyloxycarbonylpyrrolidine Hydrochloride

MDL Number

MFCD06796559

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Benzyl (3S)-3-amino-1-pyrrolidinecarboxylate hydrochloride (CAS: 550378-39-7)?

Benzyl (3S)-3-amino-1-pyrrolidinecarboxylate hydrochloride (CAS: 550378-39-7) is a crystalline solid with a molecular weight of approximately 269.9 g/mol. It has a pKa of about 1.8, indicating strong acidity. The compound is soluble in water and ethanol. It is mildly basic and can react with acids to form the corresponding salts. It is used in pharmaceutical and chemical synthesis due to its reactivity and functionality.

How is Benzyl (3S)-3-amino-1-pyrrolidinecarboxylate hydrochloride (CAS: 550378-39-7) typically synthesized?

Benzyl (3S)-3-amino-1-pyrrolidinecarboxylate hydrochloride (CAS: 550378-39-7) is synthesized through the condensation of benzylamine with 1-pyrrolidinecarboxylic acid in the presence of a suitable base like triethylamine. The reaction is typically carried out in an aqueous medium, followed by the addition of hydrochloric acid to protonate the amine group, yielding the hydrochloride salt. This process ensures high yield and good purity.

What industries use Benzyl (3S)-3-amino-1-pyrrolidinecarboxylate hydrochloride (CAS: 550378-39-7)?

Benzyl (3S)-3-amino-1-pyrrolidinecarboxylate hydrochloride (CAS: 550378-39-7) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It is also utilized in the polymer industry for modifying polymer properties and in the analytical sector for sensor applications. Its reactivity and functionality make it a valuable intermediate in chemical synthesis.

What precautions should be taken when handling Benzyl (3S)-3-amino-1-pyrrolidinecarboxylate hydrochloride (CAS: 550378-39-7)?

When handling Benzyl (3S)-3-amino-1-pyrrolidinecarboxylate hydrochloride (CAS: 550378-39-7), it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from heat sources. Work in a well-ventilated area or a fume hood. In case of a spill, avoid contact with eyes and skin; use appropriate absorbent materials for cleanup and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling guidelines.