Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride (1:1)

Basic Information

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CAS Number

874964-22-4

Molecular Formula

C6H12ClNO2

Molecular Weight

165.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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Cl.COC(=O)[C@@H]1CCNC1

InChI

InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H/t5-;/m1./s1

InChIKey

VVBSXSVVMNGQIN-NUBCRITNSA-N

LogP

0.19069999999999993

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

114

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

(R)-Methyl pyrrolidine-3-carboxylate hydrochloride
methyl (3R)-pyrrolidine-3-carboxylate,hydrochloride
HT1111
pyrrolidine-3-carboxylic acid methyl ester hydrochloride
R-pyrrolidine-3-carboxylic acid methyl ester hydrochloride
(R)-methyl pyrrolidine-3-carboxylate HCl
methyl (3R)-pyrrolidine-3-carboxylate hydrochloride
3-Pyrrolidinecarboxylic acid, methyl ester, hydrochloride, (3R)-
PubChem20164
VVBSXSVVMNGQIN-NUBCRITNSA-N
ST2408192
AX8157962
AB0027172
(R)-Methyl pyrrolidine-3-carboxylate, HCl
W8977
X-
3-Pyrrolidinecarboxylic acid, methyl ester, hydrochloride, (3R)- (9CI)
(R)-3-Pyrrolidinecarboxylic acid methyl ester hydrochloride
(R)-Methylpyrrolidine-3-carboxylate hydrochloride
Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride
Methyl (3R)pyrrolidine-3-carboxylate hydrochloride
Methyl (R)-pyrrolidine-3-carboxylate hydrochloride

MDL Number

MFCD11840195

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride (CAS: 874964-22-4)?

Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride is a white crystalline solid with a molecular weight of approximately 223.7 g/mol. It has a solubility of about 10 g/L in water and is slightly soluble in ethanol. The compound is reactive, particularly towards bases, and is used in various applications due to its chiral structure. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride (CAS: 874964-22-4) typically synthesized?

Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride is synthesized by the reaction of (S)-3-methylpyrrolidine with acetic anhydride followed by hydrolysis with hydrochloric acid. The reaction is typically carried out in anhydrous conditions to minimize side reactions. The yield is around 85-90%, and the use of suitable catalysts can improve selectivity and efficiency.

What industries use Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride (CAS: 874964-22-4)?

Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various chiral compounds, which are essential for drug development. The compound is also utilized in the production of polymers, sensors, and as a chiral auxiliary in organic synthesis.

What precautions should be taken when handling Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride (CAS: 874964-22-4)?

When handling Methyl (3R)-3-pyrrolidinecarboxylate hydrochloride, proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of dust. In the case of spills, they should be cleaned up immediately using appropriate absorbents. Safety data sheets (SDS) should be consulted for detailed information on handling and storage recommendations. The compound should be stored in a cool, dry place away from direct sunlight and heat sources.