(S)-1-tert-Butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate

Basic Information

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CAS Number

74844-93-2

Molecular Formula

C11H17NO4

Molecular Weight

227.26 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

SMILES

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

InChI

InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h5-6,8H,7H2,1-4H3/t8-/m0/s1

InChIKey

YDQDZLXTPXNOKO-QMMMGPOBSA-N

LogP

1.3348999999999998

Topological Polar Surface Area

55.84 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

316

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

1-(tert-Butyl) 2-methyl (S)-2,5-dihydro-1H-pyrrole-1,2-dicarboxylate
AS-38043
YDQDZLXTPXNOKO-QMMMGPOBSA-N
(S)-1-tert-butyl 2-methyl 1H-pyrrole-1,2(2H, 5H)-dicarboxylate
Methyl n-boc-l-proline-3-ene
(S)-1-tert-butyl 2-methyl 1H-pyrrole-1, 2(2H, 5H)-dicarboxylate
1-O-tert-butyl 2-O-methyl (2S)-2,5-dihydropyrrole-1,2-dicarboxylate
AKOS016010241
74844-93-2
(S)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
(S)-1-tert-Butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate
(S)-2,5-dihydropyrrole-1,2-dicarboxylic Acid 1-tert-butyl ester 2-methyl ester
MFCD00080341
CS-0099904
SCHEMBL2559556
(R)-Boc-3,4-dehydro-proline methyl ester
AKOS015850999
DTXSID90439628
1-TERT-BUTYL 2-METHYL (2S)-2,5-DIHYDRO-1H-PYRROLE-1,2-DICARBOXYLATE
(S)-2,5-DIHYDRO-PYRROLE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER
1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
Boc-3,4-dehydro-L-proline methyl ester
(2S)-N-(tert-Butoxycarbonyl)-2-methoxycarbonyl-3-pyrroline
(S)-1-tert-Butyl 2-methyl 1H-pyrr
(S)-N-Boc-3,4-dehydroprolone methyl ester
(S)-N-Boc-3,4-didehydroproline methyl ester
methyl (2S)-N-tert-butyloxycarbonyl-3,4-dehydroprolinate
N-Boc-3,4-dehydro-L-proline methyl ester
N-BOC-3,4-didehydro-(S)-proline methyl ester
N-Boc-L-proline-3-ene

MDL Number

MFCD00080341

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (S)-1-tert-Butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate (CAS: 74844-93-2)?

This compound must comply with various regulatory guidelines including GHS classification for hazardous materials, REACH regulations for registration, evaluation, authorization, and restriction of chemicals, and FDA/EPA standards for safety and environmental protection. It is crucial to follow these guidelines to ensure safe handling and disposal.

Are there alternatives to (S)-1-tert-Butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate in synthesis?

Several alternatives can be used in synthesis, including isomers or analogs like (R)-1-tert-Butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate, or other reagents such as 1-tert-Butyl 3-methyl 1H-pyrrole-1,3(2H,5H)-dicarboxylate. These alternatives can offer similar functionalities with varying properties.

What is the market or research trend for (S)-1-tert-Butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate?

The market and research trends for this compound indicate increasing interest in its use as a precursor in organic synthesis, particularly in the development of new materials and pharmaceuticals. Recent research highlights its role in catalysis and its potential in drug discovery.

How should waste containing (S)-1-tert-Butyl 2-methyl 1H-pyrrole-1,2(2H,5H)-dicarboxylate be handled?

Waste containing this compound should be collected and disposed of according to hazardous waste management regulations. It is recommended to use professional waste disposal services, ensuring safe incineration or other appropriate methods to prevent environmental contamination. Always follow local and national environmental protection standards for disposal.