(2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid

Basic Information

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CAS Number

96314-29-3

Molecular Formula

C16H21NO4

Molecular Weight

291.35 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

Boiling Point

441.5°C at 760 mmHg

Density

1.196

Flash Point

220.8°C

Refractive Index

1.548

SMILES

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CC(C)(C)OC(=O)N1CC(CC1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m1/s1

InChIKey

JDAQDIQHICLYKH-OLZOCXBDSA-N

LogP

2.864200000000001

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

396

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(2S,4S)-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid
(2S,4S)-Boc-4-phenyl-pyrrolidine-2-carboxylic acid
1,2-Pyrrolidinedicarboxylicacid, 4-phenyl-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
Boc-(2S,4S)-4-phenyl-pyrrolidine-2-carboxylic acid
Boc-(2S,4S)-4-phenylpyrrolidine-2-carboxylic acid
(2S,4R)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid
(2S,4S)-1-(tert-butoxycarbonyl)-4-phenyl-2-pyrrolidinecarboxylic acid
(2S,4S)-4-phenyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
(2S,4S)-Boc-4-phenylpyrrolidine-2-carboxylic acid
(2S,4S)-N-tert-butoxycarbonyl-4-phenyl-pyrrolidine-2-carboxylic acid
(2S,4S)-4-Phenyl-1,2-pyrrolidinedicarboxylic acid 1-tert-butyl ester
1,2-Pyrrolidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl) ester, (2S-trans)- (ZCI)
1-(1,1-Dimethylethyl) (2S,4S)-4-phenyl-1,2-pyrrolidinedicarboxylate (ACI)
(2S,4S)-1-tert-butoxycarbonyl-4-phenyl-pyrrolidine-2-carboxylic acid
EN300-7383729
JDAQDIQHICLYKH-OLZOCXBDSA-N
(2S,4S)-1-tert-Butoxycarbonyl-4-phenyl-pyrrolidine-2-carboxylic acid
W17672
(2s,4s)-boc-4-phenylpyrrolidine-2-carboxylic acid
(2S,4S)-1-[(tert-butoxy)carbonyl]-4-phenylpyrrolidine-2-carboxylic acid
96314-29-3
(2S,4S)-1-BOC-4-phenylpyrrolidine-2-carboxylic acid
Boc-(2S,4S)-4-Phenylpyrrolidine-2-carboxylic acid
1,2-Pyrrolidinedicarboxylicacid,4-phenyl-,1-(1,1-dimethylethyl)ester,(2S,4S)-
(2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid
AKOS015836490
DTXSID30373173
MFCD01321010
(2S,4S)-4-Phenyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
(2S,4S)-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylicacid
(4S)-1-(tert-Butoxycarbonyl)-4-phenyl-L-proline

MDL Number

MFCD01321010

FAQ

What regulatory guidelines apply to (2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (CAS: 96314-29-3)?

The compound (2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (CAS: 96314-29-3) is subject to various regulatory guidelines including GHS classification, REACH regulations, FDA/EPA related requirements, and other national and international regulations depending on its intended use. It is important to comply with local regulations and guidelines to ensure safe handling and disposal.

Are there alternatives to (2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (CAS: 96314-29-3) in synthesis?

There are several alternatives to (2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (CAS: 96314-29-3) in synthesis, including similar compounds like 4-phenylpyrrolidine-2-carboxylic acid or its isomers. Substitutes may vary depending on the specific chemical properties required for your synthesis, such as reactivity, solubility, and functional groups.

What is the market or research trend for (2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (CAS: 96314-29-3)?

The market for (2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (CAS: 96314-29-3) is driven by its use in pharmaceuticals, agrochemicals, and fine chemicals. Recent research trends indicate an increased interest in its derivatives and analogs for novel drug discovery and development. Market demand is expected to grow due to its versatile chemical structure and potential applications.

How should waste containing (2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (CAS: 96314-29-3) be handled?

Waste containing (2S,4S)-1-(tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (CAS: 96314-29-3) should be handled according to local regulations. Generally, it is advisable to collect the waste in appropriate containers, label them properly, and dispose of them through incineration or professional waste disposal services. Environmental precautions should be taken to prevent contamination and ensure safe disposal.