(2Z)-2-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]-2-pentenoic acid

Basic Information

View in Editor

CAS Number

86978-24-7

Molecular Formula

C13H18N2O4S

Molecular Weight

298.36 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

Melting Point

159-161°C

Density

1.279

Refractive Index

1.583

SMILES

View in Editor

CC/C=C(C1=CSC(NC(OC(C)(C)C)=O)=N1)\C(O)=O

InChI

InChI=1S/C13H18N2O4S/c1-5-6-8(10(16)17)9-7-20-11(14-9)15-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)(H,14,15,18)/b8-6-

InChIKey

XIXNSLABECPEMI-VURMDHGXSA-N

LogP

3.368100000000001

Topological Polar Surface Area

88.52000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

404

Safety Information

View Safety Information

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

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

Synonyms & References

English

(Z)-2-(2-((tert-Butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoic acid
BTPA
(z)-2-(2-tert-butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid
(Z)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-propylidene-4-thiazoleacetic Acid
( Z )-2-(2-T-BUTOXYCARBONYLAMINOTHIAZOL-4-YL)-2-PENTENOIC ACID (BTPA)
(Z )-2-(2-t-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid
(Z)-2-(2-((tert-Butoxycarbonyl)amino)-thiazol-4-yl)pent-2-enoic acid
BAPA
4-Thiazoleaceticacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-a-propylidene-, (Z)-
(Z)-2-(2-t-butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid
eatb
XIXNSLABECPEMI-VURMDHGXSA-N
(Z)-2-(2-tert-Butoxycarbonylamino-4-thiazolyl)-2-pentenoic acid
BCP22683
(Z)-2-(2-t-butoxycarbonylamino-4-thiazolyl)pent-2-enoic acid
BCP9000634
AB0027128
AX80

MDL Number

MFCD08458237

Customs Code

2942000000

FAQ

What are the physical and chemical properties of (2Z)-2-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]-2-pentenoic acid (CAS: 86978-24-7)?

(2Z)-2-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]-2-pentenoic acid has a crystalline form with a molecular weight of approximately 334.41 g/mol. It is slightly soluble in water and organic solvents. Chemically, it is reactive towards nucleophiles, making it suitable for various synthetic applications. The compound is stable under normal conditions but should be stored away from moisture and heat to prevent degradation.

How is (2Z)-2-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]-2-pentenoic acid (CAS: 86978-24-7) typically synthesized?

(2Z)-2-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]-2-pentenoic acid is usually synthesized via a multi-step process involving the protection of the amino group, followed by coupling with the 1,3-thiazole derivative, and subsequent deprotection. Commonly used catalysts include palladium(II) acetate and triphenylphosphine, with a yield of around 75%.

What industries use (2Z)-2-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]-2-pentenoic acid (CAS: 86978-24-7)?

(2Z)-2-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]-2-pentenoic acid finds applications in the pharmaceutical industry due to its biological activity, particularly in drug discovery and development. It is also used in the sensors and semiconductors industry for its unique chemical properties.

What precautions should be taken when handling (2Z)-2-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]-2-pentenoic acid (CAS: 86978-24-7)?

When handling (2Z)-2-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1,3-thiazol-4-yl]-2-pentenoic acid, it is crucial to use appropriate personal protective equipment (PPE) including gloves and goggles. Always work in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using an appropriate absorbent material, and the area should be flushed with water. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.