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

Basic Information

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CAS Number

192214-05-4

Molecular Formula

C13H17NO3

Molecular Weight

235.28 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Boiling Point

382℃ at 760 mmHg

SMILES

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C1CN(CC1CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H17NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m1/s1

InChIKey

ZRMWRJLLAVAFQP-GFCCVEGCSA-N

LogP

1.6374000000000002

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

251

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

(R)-3-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
AS-37164
MFCD06410562
DTXSID00453077
1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester, (3R)-
Benzyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
ZRMWRJLLAVAFQP-GFCCVEGCSA-N
192214-05-4
Q-102184
(R)-1-Cbz-3-(hydroxymethyl)pyrrolidine
CS-W003284
1-Pyrrolidinecarboxylicacid,3-(hydroxymethyl)-,phenylmethyl ester,(3R)-
AKOS015856132
(R)-1-Cbz-beta-Prolinol
(R)-1-Cbz-b-prolinol
A4237
(R)-(1-Benzyloxycarbonyl-pyrrolidin-3-yl)-methanol
(R)-1-Cbz-3-hydroxymethylpyrrolidine
A880331
EN300-6983197
SCHEMBL3444915
(R)-Benzyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
(R)-1-Cbz-3-Hydroxymethylpyrrolidine
(R)-1-Cbz-beta-prolinol
1-Pyrrolidinecarboxylicacid, 3-(hydroxymethyl)-, phenylmethyl ester, (3R)-
benzyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
R-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid benzyl ester
(3R)-3-(Hydroxymethyl)-1-pyrrolidinecarboxylic acid phenylmethyl ester
(R)-1-Cbz-3-(hydroxyMethy...
R-1-Cbz-3-(Hydroxymethyl)piperidine
(R)-3-(Hydroxymethyl)-1-pyrrolidinecarboxylic acid phenylmethyl ester

MDL Number

MFCD06410562

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Benzyl (3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 192214-05-4)?

Benzyl (3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 192214-05-4) is subject to various regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a category 4 skin corrosion/irritation agent. REACH regulations in the EU require manufacturers and importers to register this compound if it meets the tonnage threshold. The FDA and EPA in the U.S. may regulate it based on its intended use and potential environmental impact. Proper documentation and adherence to local and international regulations are essential for handling this compound.

Are there alternatives to Benzyl (3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate in synthesis?

Several alternatives to Benzyl (3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate can be used in synthesis depending on the specific requirements. Common alternatives include other pyrrolidine derivatives such as (3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylic acid and its benzyl ester. Isomeric forms and analogs, such as (3S)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate, can also be considered. Substitutes may vary based on reactivity, solubility, and the desired end product.

What is the market or research trend for Benzyl (3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 192214-05-4)?

The market for Benzyl (3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 192214-05-4) is trending towards increased research and development in pharmaceuticals and synthetic chemistry. Its use in drug synthesis, particularly as a chiral auxiliary, is gaining attention. Market trends suggest a steady demand, with research focusing on its applications in enantioselective synthesis and as a building block for pharmaceuticals. The compound's potential in biocatalysis and as a chiral ligand is also being explored.

How should waste containing Benzyl (3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 192214-05-4) be handled?

Handling waste containing Benzyl (3R)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 192214-05-4) requires adherence to strict environmental and safety protocols. Waste should be collected in appropriate containers and stored in a secure area. Disposal should be conducted by a licensed hazardous waste management company, using methods such as incineration or chemical treatment. Environmental protection measures include proper labeling, ensuring no release into the environment, and following local regulations for waste disposal. Always consult the Material Safety Data Sheet (MSDS) and local authorities for specific disposal requirements.