(2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid

Basic Information

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CAS Number

51154-06-4

Molecular Formula

C10H15NO4

Molecular Weight

213.23 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

Basic Physical Properties

Melting Point

92-95 ºC

Boiling Point

336.4 °C at 760 mmHg

Flash Point

157.3 °C

SMILES

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

InChI

InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)/t7-/m0/s1

InChIKey

BMIGSRMSSCUMAZ-ZETCQYMHSA-N

LogP

1.2464999999999997

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

303

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Boc-3,4-dehydroPro-OH
MFCD00037896
N-Boc-L-3,4-dehydroproline
SCHEMBL629585
DTXSID00350890
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid
BMIGSRMSSCUMAZ-ZETCQYMHSA-N
F10911
Boc-deltaPro-OH
Boc-3,4-Dehydro-L-proline
51154-06-4
(S)-2,5-dihydropyrrole-1,2-dicarboxylic acid 1-tert-butyl ester
DS-4250
AKOS015907944
58617-29-1
(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
N-Boc-3,4-dihydro-L-proline
BOC-3,4-DEHYDRO-PRO-OH
A871358
CS-W000410
(S)-2,5-dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester
1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)-
Boc-3,4-dehydro-L-proline
Boc-3,4-dehydro-Pro-OH
Boc-3004-dehydro-Pro-OH
(2S)-1-(tert-butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
(S)-1-Boc-2,5-dihydro-1H-pyrrole-2-carboxylic acid
4-DEHYDRO-L-PROLINE
AmbotzBAA1460
BOC-3
N-tert-Butoxycarbonyl-(S)-dehydroproline

MDL Number

MFCD00037896

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS: 51154-06-4)?

This compound (CAS 51154-06-4) falls under the scope of GHS (Globally Harmonized System of Classification and Labelling of Chemicals) and requires proper hazardous communication and labeling. In the EU, it should comply with REACH regulations for chemical safety assessment and authorization. FDA/EPA have specific requirements for the handling, reporting, and registration of this compound, particularly concerning environmental release and human health exposure.

Are there alternatives to (2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS: 51154-06-4) in synthesis?

Synthetic alternatives to (2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid include similar functional group analogs or isomers. Common substitutes include other 2-pyrrole carboxylic acids with different side chains, which can serve as effective reagents in various organic reactions. These alternatives can offer similar reactivity profiles and are often selected based on availability, cost, and specific reaction conditions.

What is the market or research trend for (2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS: 51154-06-4)?

Research trends for (2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS 51154-06-4) indicate increasing interest in its applications in pharmaceuticals and materials science due to its unique chemical properties. Market trends show growing demand for this compound in developing countries, driven by advancements in drug discovery and sustainable materials. Emerging research focuses on optimizing its synthesis and exploring new functional groups for enhanced material properties.

How should waste containing (2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS: 51154-06-4) be handled?

Waste containing (2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS 51154-06-4) should be collected in appropriate containers and labeled according to GHS guidelines. Incineration is a common disposal method, but professional waste treatment facilities should be used to ensure environmental compliance. For liquid waste, proper collection and neutralization before disposal are essential. Always follow local environmental regulations and consult with waste management professionals to ensure safe and effective disposal.