2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid

Basic Information

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CAS Number

83673-98-7

Molecular Formula

C9H12N2O4S

Molecular Weight

244.27 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

Basic Physical Properties

Melting Point

265-268°C

Density

1.406±0.06 g/cm3 (20 ºC 760 Torr),

Refractive Index

1.601

SMILES

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CC(C)(C)OC(=O)Nc1nc(cs1)C(=O)O

InChI

InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)11-7-10-5(4-16-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)

InChIKey

PIWSRJPUYPNQJE-UHFFFAOYSA-N

LogP

2.1883

Topological Polar Surface Area

88.52 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

290

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-Boc-Aminothiazole-4-carboxylic acid
2-(tert-butoxycarbonyamino)thiazole-4-carboxylic acid
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
2-tert-Butoxycarbonylaminothiazole-4-carboxylic acid
3-tert-butoxycarbonylamino-thiazole-4-carboxylic acid
4-Thiazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
BOC-2-AMINO-4-THIAZOLE-CARBOXYLIC ACID
2-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid
2-(tert-butoxycarbonylamino)thiazole-4-carboxylic acid
2-[(tert-butoxycarbonyl)amino]-1,3-thiazole-4-carboxylic acid
2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-4-carboxylic acid
4-Thiazolecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
2-tert-Butoxycarbonylamino-thiazole-4-carboxylic acid

MDL Number

MFCD02181057

Customs Code

2934100090

FAQ

What regulatory guidelines apply to 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid (CAS: 83673-98-7)?

The compound 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid (CAS: 83673-98-7) falls under the scope of various regulatory guidelines. According to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may require classification as a skin irritant. Additionally, it is subject to reporting obligations under the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation in the European Union. In the United States, the compound must comply with the Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) regulations, which include proper labeling and documentation of its use and disposal.

Are there alternatives to 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid (CAS: 83673-98-7) in synthesis?

When considering alternatives to 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid (CAS: 83673-98-7), chemists often look at analogous compounds with similar functional groups. Examples include 2-mercapto-1,3-thiazole-4-carboxylic acid and its derivatives. Additionally, using alternative reagents such as thiazole-4-carboxylic acid itself or related carboxylic acids can provide similar functional group modifications. These alternatives can offer a more sustainable or less toxic approach depending on the specific application.

What is the market or research trend for 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid (CAS: 83673-98-7)?

The market for 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid (CAS: 83673-98-7) is growing due to its potential applications in pharmaceuticals and agrochemicals. Research trends indicate a focus on its use as an intermediate in drug development, particularly in antiviral and anti-inflammatory compounds. There is also increasing interest in its synthesis and purification techniques to improve yield and efficiency. Market demand is expected to rise as more applications are discovered and optimized.

How should waste containing 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid (CAS: 83673-98-7) be handled?

Waste containing 2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazole-4-carboxylic acid (CAS: 83673-98-7) should be managed in accordance with local environmental regulations. Typically, such waste should be collected in appropriate containers and stored in a secure, well-ventilated area. For disposal, it is recommended to use professional waste disposal services that specialize in chemical waste. Incineration is a common method, provided that it is performed in an appropriately equipped facility. Environmental protection measures include proper labeling of waste containers and adherence to all safety guidelines to prevent environmental contamination.