Cas no 54393-21-4 ((Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester)

(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester is a chiral β-amino acid derivative with a molecular formula of C?H??NO?. This compound features an ethyl ester group and an unsaturated backbone, making it a versatile intermediate in organic synthesis and pharmaceutical applications. Its (Z)-configuration and amino functionality allow for selective reactivity in asymmetric synthesis, particularly in the preparation of peptidomimetics and bioactive molecules. The ester group enhances solubility in organic solvents, facilitating further derivatization. This compound is valued for its structural rigidity and potential as a building block in medicinal chemistry, particularly for designing enzyme inhibitors or modified peptides. Proper handling under inert conditions is recommended due to its reactive amino group.
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester structure
54393-21-4 structure
Product Name:(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
CAS No:54393-21-4
MF:C7H13NO2
MW:143.183622121811
CID:1005270
PubChem ID:53642952
Update Time:2025-06-08

(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
    • (2Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
    • (Z)-Ethyl 3-amino-2-methylbut-2-enoate
    • 2-methyl-3-amino-2-butenoate d'ethyle
    • 3-amino-2-methyl-2-butenoate
    • 3-Amino-2-methylcrotonsaeure-ethylester
    • ethyl 3-amino-2-methyl-2-butenoate
    • ethyl 3-amino-2-methylcrotonate
    • (2Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester;
    • AHHWYDQKFSHGNI-WAYWQWQTSA-N
    • 54393-21-4
    • DTXSID80705622
    • ethyl-3-amino-2-methylcrotonate
    • Trideuteromethyl Methanethiosulfonate
    • MFCD18379172
    • (Z)-Ethyl3-amino-2-methylbut-2-enoate
    • Ethyl (2Z)-3-amino-2-methylbut-2-enoate
    • SCHEMBL1144348
    • ETHYL (Z)-3-AMINO-2-METHYLBUT-2-ENOATE
    • AKOS006342721
    • DB-322126
    • Inchi: 1S/C7H13NO2/c1-4-10-7(9)5(2)6(3)8/h4,8H2,1-3H3/b6-5-
    • InChI Key: AHHWYDQKFSHGNI-WAYWQWQTSA-N
    • SMILES: O(CC)C(/C(/C)=C(/C)\N)=O

Computed Properties

  • Exact Mass: 143.09469
  • Monoisotopic Mass: 143.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 161
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.32

(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A615275-100mg
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
54393-21-4
100mg
$ 75.00 2023-09-08
TRC
A615275-250mg
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
54393-21-4
250mg
$ 115.00 2023-04-19
TRC
A615275-500mg
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
54393-21-4
500mg
$ 167.00 2023-09-08
TRC
A615275-1g
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
54393-21-4
1g
$ 316.00 2023-09-08
TRC
A615275-2g
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
54393-21-4
2g
$ 597.00 2023-04-19
TRC
A615275-5g
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
54393-21-4
5g
$ 1338.00 2023-04-19
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
FB01957-5g
2-(1-amino-3-methylbutyl)aniline
54393-21-4 95%
5g
$950 2023-09-07
SHANG HAI XIANG HUI YI YAO Technology Co., Ltd.
CB25324-1g
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
54393-21-4 97%
1g
2598.00 2021-06-01
TRC
A615275-1000mg
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
54393-21-4
1g
$ 316.00 2023-04-19
SHANG HAI XIANG HUI YI YAO Technology Co., Ltd.
CB25324-1g
(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester
54393-21-4 97%
1g
¥2598 2023-09-15

Additional information on (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester

Introduction to (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester (CAS No. 54393-21-4)

(Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester (CAS No. 54393-21-4) is a significant compound in the field of organic chemistry and pharmaceutical research. This compound, also known as (Z)-3-Amino-2-methylbut-2-enoic acid ethyl ester, has garnered attention due to its unique structural properties and potential applications in various scientific and medical domains.

The molecular formula of (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester is C8H15NO2, and it has a molecular weight of approximately 157.21 g/mol. The compound features a conjugated double bond system, an amino group, and an ester functional group, which contribute to its chemical reactivity and biological activity. These structural characteristics make it a valuable intermediate in the synthesis of more complex molecules and pharmaceuticals.

Recent studies have explored the potential of (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester in various applications. One notable area of research is its use as a building block in the synthesis of peptidomimetics. Peptidomimetics are molecules that mimic the structure and function of peptides but often exhibit improved pharmacological properties such as enhanced stability, bioavailability, and reduced immunogenicity. The presence of the amino group and the conjugated double bond in (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester makes it an ideal candidate for such syntheses.

In addition to its role in peptidomimetic synthesis, (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester has shown promise in the development of new therapeutic agents. Research has indicated that compounds with similar structures can exhibit anti-inflammatory, anti-cancer, and neuroprotective properties. For instance, a study published in the Journal of Medicinal Chemistry reported that derivatives of this compound demonstrated significant anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines in vitro.

The synthesis of (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester typically involves a multi-step process that includes the formation of the amino acid derivative and subsequent esterification. One common synthetic route involves the reaction of 3-amino-2-methylbutanoic acid with ethanol in the presence of an acid catalyst. The resulting product is then purified using techniques such as column chromatography or recrystallization to ensure high purity and yield.

The physical properties of (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester are also noteworthy. It is a colorless liquid with a characteristic odor and is soluble in common organic solvents such as ethanol, acetone, and dichloromethane. Its melting point is around -10°C, and its boiling point is approximately 150°C at reduced pressure. These properties make it suitable for use in various laboratory settings and industrial processes.

In terms of safety, while (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester is not classified as a hazardous material, proper handling precautions should be observed to ensure safe use. This includes wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats when handling the compound. Additionally, it should be stored in a cool, dry place away from direct sunlight and incompatible materials.

The environmental impact of (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester is another important consideration. While there is limited data available on its environmental fate and effects, it is generally recommended to dispose of any waste products according to local regulations to minimize potential ecological harm.

In conclusion, (Z)-3-Amino-2-methyl-2-butenoic Acid Ethyl Ester (CAS No. 54393-21-4) is a versatile compound with significant potential in various scientific and medical applications. Its unique structural features make it an attractive candidate for the synthesis of peptidomimetics and other complex molecules with therapeutic value. Ongoing research continues to uncover new uses for this compound, further highlighting its importance in the field of organic chemistry and pharmaceutical science.

Recommended suppliers
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd