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Tert-butyl 3-aminopropanoate is an organic compound that serves as an intermediate in the synthesis of various pharmaceutical compounds. It is a derivative of 3-aminopropanoic acid, featuring a tert-butyl group attached to the nitrogen atom. tert-butyl 3-aminopropanoate plays a crucial role in the production of specific medications, making it an essential component in the pharmaceutical industry.

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  • 15231-41-1 Structure
  • Basic information

    1. Product Name: tert-butyl 3-aminopropanoate
    2. Synonyms: tert-butyl 3-aminopropanoate;3-Aminopropionic acid tert-butyl ester;b-Alanine, 1,1-diMethylethyl ester;tert-Butyl b-alaninate;b-Alanine tert-butyl ester
    3. CAS NO:15231-41-1
    4. Molecular Formula: C7H15NO2
    5. Molecular Weight: 145.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 15231-41-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 192 ºC
    3. Flash Point: 64 ºC
    4. Appearance: /
    5. Density: 0.959
    6. Refractive Index: N/A
    7. Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: N/A
    9. PKA: 8.67±0.10(Predicted)
    10. CAS DataBase Reference: tert-butyl 3-aminopropanoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-butyl 3-aminopropanoate(15231-41-1)
    12. EPA Substance Registry System: tert-butyl 3-aminopropanoate(15231-41-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 15231-41-1(Hazardous Substances Data)

15231-41-1 Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl 3-aminopropanoate is used as an intermediate in the synthesis of rac-3-Oxo Atorvastatin Sodium Salt (O847150), which is a byproduct impurity of Atorvastatin Calcium (A791750). Atorvastatin Calcium is a selective, competitive HMG-CoA reductase inhibitor, specifically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia. The use of tert-butyl 3-aminopropanoate in this process is crucial for the development and production of effective cholesterol-lowering medications.

Check Digit Verification of cas no

The CAS Registry Mumber 15231-41-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,5,2,3 and 1 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 15231-41:
(7*1)+(6*5)+(5*2)+(4*3)+(3*1)+(2*4)+(1*1)=71
71 % 10 = 1
So 15231-41-1 is a valid CAS Registry Number.

15231-41-1Relevant articles and documents

Compound for targeted ubiquitination degradation of ERRalpha protein and pharmaceutical composition and application thereof

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Paragraph 0234-0235; 0239-0241, (2020/06/20)

The invention provides a compound with a structure shown as a formula (I), which has the effects of inhibiting ERRalpha protein activity and degrading ERRalpha protein activity, has relatively strongsubtype selectivity and can also effectively inhibit tri

Identification of New Small-Molecule Inducers of Estrogen-related Receptor α (ERRα) Degradation

Peng, Lijie,Zhang, Zhensheng,Lei, Chong,Li, Shan,Zhang, Zhang,Ren, Xiaomei,Chang, Yu,Zhang, Yan,Xu, Yong,Ding, Ke

supporting information, p. 767 - 772 (2019/05/08)

A series of (E)-3-(4-((2,4-bis(trifluoromethyl)benzyl)oxy)-3-methoxyphenyl)-2-cyanoacrylamide derivatives were designed and synthesized as new estrogen-related receptor α (ERRα) degraders based on the proteolysis targeting chimera (PROTAC) concept. One of the representative compounds 6c is capable of specifically degrading ERRα protein by >80% at a relatively low concentration of 30 nM, becoming one of the most potent and selective ERRα degraders to date. Compound 6c could be utilized as a new powerful research tool for further biological investigation of ERRα.

Preparation method for beta-alanine t-butyl ester hydrochloride

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Paragraph 0022; 0023, (2016/10/10)

The present invention discloses a preparation method for beta-alanine t-butyl ester hydrochloride. The method comprises the following steps of dissolving tert-butyl cyanoacetate in a solvent, adding an alkali into the solvent, then using Raney nickel to carry out catalytic hydrogenation, and after hydrogenation, removing the catalyst through filtration and obtaining a hydrogenated product after concentration; and dissolving the hydrogenated product into an organic solvent, dropwise adding an organic solvent of hydrogen chloride, and after the pH reaches 2-3, carrying out concentrating and drying under reduced pressure to obtain a target product. According to the method disclosed by the present invention, amino acid derivatives are prepared by using the catalytic hydrogenation, and the product is good in quality and high in yield; requirements on devices and reaction conditions are low, operations are simple, and the reaction conditions are mild, so that the method is suitable for industrial large-scaled production; and raw materials and reagents used are easily available and low in price, so that the product cost is low.

Synthesis and structure of a bis-glycosylated hexa-β-peptide

Daiber, Ralf,Ziegler, Thomas

, p. 408 - 420 (2013/04/10)

The bis-glycosylated hexapeptide β-Ala-β-Ala-(β-D-Glc)-L- Asp-β-Ala-β-Ala-(β-D-Gal)-L-Asp (14) is prepared by fragment condensation of Fmoc-β-Ala-β-Ala-(β-D-GlcAc4)-L-Asp-OH (11) and H2N-β-Ala-β-Ala-(β-D-GalAc4)-L-Asp-OtBu (12) under optimized conditions

N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3

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Page/Page column 80, (2012/05/05)

A method of treating autoimmune diseases or conditions in a mammal, such as a human, which comprises the administration of a therapeutically effective amount of histone demethylase enzymes of formula (I).

Preparation of new 1,4-diazocanes as scaffolds for combinatorial chemistry

Penning, Miriam,Christoffers, Jens

experimental part, p. 1809 - 1818 (2012/05/04)

Hexahydro-2-oxo-1,4-diazocin-6-carboxylic acid constitutes a conformationally rigid, crown-shaped scaffold. An orthogonally protected (Boc at N-4 and methyl ester at 6-CO2H) representative was prepared by ring expansion of a 3-pyrrolidone-derived 1,4-diketone with MeNH2. After deprotection, this building block was further diversified by reductive aminations and amidations and by sulfonamide and urea formation. Furthermore, the 6-CO2H function was transformed into a 6-NHCbz group in one step by carboxamide degradation in the presence of BnOH. An example of a cyclic tripeptoidic structure was synthesized by amidation with N-Boc-β-alanine and glycine methyl ester. Structural features of the eight-membered heterocycle were established by single-crystal X-ray structure analysis of a 4-bromoaniline derivative.

Synthesis and self-association properties of flexible guanidiniocarbonylpyrrole-carboxylate zwitterions in DMSO: Intra- versus intermolecular ion pairing

Schmuck, Carsten,Rehm, Thomas,Geiger, Lars,Schaefer, Mathias

, p. 6162 - 6170 (2008/02/10)

(Chemical Equation Presented) We have synthesized a new class of flexible zwitterions 6a-e, in which a carboxylate is linked via an alkyl chain with variable length (one to five methylene groups) to a guanidiniocarbonylpyrrole cation. The self-association properties of these zwitterions were determined by NMR dilution studies in DMSO and by ESI-MS experiments. The stability and hence also the size of the aggregates formed via self-assembly is critically dependent on the length and therefore flexibility of the spacer. Whereas the smallest zwitterion 6a forms large aggregates already at low concentrations, the more flexible zwitterions only form small oligomers (6b) or dimers (6c-e) at much larger concentrations. The differences between the five zwitterions can be explained based on the different extent of intramolecular ion pairing within the monomers. Any intramolecular ion pairing, which becomes possible with increasing linker length, stabilizes the monomer and therefore destabilizes any oligomer.

HETEROCYCLIC METHYL SULFONE DERIVATIVE

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Page/Page column 115, (2010/11/08)

Provided is a compound capable of inhibiting production or secretion of β amyloid protein. A compound represented by the following formula (1): (wherein, R1 represents a heterocyclic group which may have a substituent, R2 represents a cyclic hydrocarbon group which may have a substituent or a heterocyclic group which may have a substituent, R3 represents a cyclic hydrocarbon group which may have a substituent or a heterocyclic group which may have a substituent, R4 represents a hydrogen atom or a C1-6 alkyl group, and X represents -S-,-SO- or -SO2-) an N-oxide or S-oxide thereof; a salt thereof; or a solvate thereof; and a medicament containing any of them.

Thrombopoietin mimetics

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, (2008/06/13)

Invented are non-peptide TPO mimetics. Also invented is a method of treating thrombocytopenia, in a mammal, including a human, in need thereof which comprises administering to such mammal an effective amount of a selected substituted naphthimidazole derivative.

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