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Methyl 2-amino-3-oxobutanoate, also known as Methyl N-Carbobenzyloxy-Aspartate and Methyl-2-amino-isovaleric Acid Methyl Ester, is a member of the L-alpha-amino acids class of organic compounds. Identified by its molecular formula C6H11NO3, this chemical is characterized by its light yellow to brown liquid appearance and should be stored in cool, dry conditions. Its applications are primarily in scientific research, particularly in biochemistry, where it is frequently utilized in peptide synthesis. However, its toxicity or hazard details are not well-studied, necessitating careful handling.

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  • 68277-01-0 Structure
  • Basic information

    1. Product Name: Methyl 2-amino-3-oxobutanoate
    2. Synonyms: methyl 2-amino-3-oxobutanoate;2-amino-3-oxobutanoic acid methyl ester;Butanoic acid, 2-amino-3-oxo-, methyl ester (9CI);Butanoic acid, 2-amino-3-oxo-, methyl ester;Methyl2-aMino-3-oxobutanoatehydrochloride
    3. CAS NO:68277-01-0
    4. Molecular Formula: C5H9NO3
    5. Molecular Weight: 131.13
    6. EINECS: N/A
    7. Product Categories: ACETYLGROUP
    8. Mol File: 68277-01-0.mol
  • Chemical Properties

    1. Melting Point: 85-86°C
    2. Boiling Point: 167.5°C
    3. Flash Point: 51.4°C
    4. Appearance: /
    5. Density: 1.133
    6. Vapor Pressure: 1.692mmHg at 25°C
    7. Refractive Index: 1.44
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 14.17±0.59(Predicted)
    11. CAS DataBase Reference: Methyl 2-amino-3-oxobutanoate(CAS DataBase Reference)
    12. NIST Chemistry Reference: Methyl 2-amino-3-oxobutanoate(68277-01-0)
    13. EPA Substance Registry System: Methyl 2-amino-3-oxobutanoate(68277-01-0)
  • 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: 68277-01-0(Hazardous Substances Data)

68277-01-0 Usage

Uses

Used in Scientific Research:
Methyl 2-amino-3-oxobutanoate is used as a research compound for its role in the synthesis of peptides, contributing to the advancement of biochemistry and related fields.
Used in Biochemistry:
In the field of biochemistry, Methyl 2-amino-3-oxobutanoate is used as a reagent in peptide synthesis, facilitating the creation of complex biological molecules for various research purposes.

Check Digit Verification of cas no

The CAS Registry Mumber 68277-01-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,8,2,7 and 7 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 68277-01:
(7*6)+(6*8)+(5*2)+(4*7)+(3*7)+(2*0)+(1*1)=150
150 % 10 = 0
So 68277-01-0 is a valid CAS Registry Number.
InChI:InChI=1/C5H9NO3/c1-3(7)4(6)5(8)9-2/h4H,6H2,1-2H3

68277-01-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2-amino-3-oxobutanoate

1.2 Other means of identification

Product number -
Other names (S)-3-Phenylmorpholine Hydrochloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:68277-01-0 SDS

68277-01-0Relevant articles and documents

Synthesis method for 2-formyl-3,4-dimethyl-5-acetyl pyrrole

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Paragraph 0007, (2016/10/24)

The invention discloses a synthesis method for 2-formyl-3,4-dimethyl-5-acetyl pyrrole, and belongs to the field of chemical synthesis. The synthesis method comprises the steps that acetic anhydride is taken as a raw material, glacial acetic acid is added into the acetic anhydride, and sodium nitrite is dropwise added by controlling the temperature for a reaction; after the reaction is finished, acetylacetone and zinc powder are added, a reaction is performed after the pH value is regulated, and cooling crystallizing and suction filtering are performed after the reaction is finished; filter residues are cleaned and recrystallized with petroleum ether to obtain 2,5-diacetyl-3,4-dimethyl pyrrole, the 2,5-diacetyl-3,4-dimethyl pyrrole is taken to be dissolved in glacial acetic acid, and sulfuryl chloride is dropwise added into the mixture for a reaction; cooling crystallizing, suction filtering and drying are performed, and then the 2-formyl-3,4-dimethyl-5-acetyl pyrrole is obtained.

Pd-catalyzed enantioselective synthesis of quaternary α-amino acid derivatives using a phenylalanine-derived P-chirogenic diaminophosphine oxide

Nemoto, Tetsuhiro,Harada, Teisuke,Matsumoto, Takayoshi,Hamada, Yasumasa

, p. 6304 - 6307 (2008/02/10)

A Pd-catalyzed enantioselective synthesis of quaternary α-amino acid derivatives using a phenylalanine-derived P-chirogenic diaminophosphine oxide is described. Asymmetric allylic substitution using acyclic β-keto esters with a nitrogen functional group at the α-carbon as prochiral nucleophiles proceeded in the presence of 5 mol % of Pd catalyst, 10 mol % of chiral diaminophosphine oxide 1j, BSA, and appropriate additives, affording the corresponding quaternary α-amino acid derivatives in excellent yield and in up to 92% ee.

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