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(S)-Allyl 2-aMinopropanoate 4-Methylbenzenesulfonate is a chemical compound composed of two main components, (S)-Allyl 2-Aminopropanoate and 4-Methylbenzenesulfonate. The former is an amino acid derivative with potential antineoplastic and antifungal properties, working by disrupting cancer cell growth and inhibiting the enzyme dihydrofolate reductase. The latter is an organic compound used as a reagent in the synthesis of pharmaceuticals and other organic compounds. Together, they form a salt with potential applications in medicine and chemistry.

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  • SAGECHEM/(S)-Allyl 2-aminopropanoate 4-methylbenzenesulfonate/SAGECHEM/Manufacturer in China

    Cas No: 20845-17-4

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  • 20845-17-4 Structure
  • Basic information

    1. Product Name: (S)-Allyl 2-aMinopropanoate 4-Methylbenzenesulfonate
    2. Synonyms: (S)-Allyl 2-aMinopropanoate 4-Methylbenzenesulfonate;L-alanine allyl ester hydro-p-toluenesulfonate
    3. CAS NO:20845-17-4
    4. Molecular Formula: C6H11NO2*C7H8O3S
    5. Molecular Weight: 301.35866
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 20845-17-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-Allyl 2-aMinopropanoate 4-Methylbenzenesulfonate(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-Allyl 2-aMinopropanoate 4-Methylbenzenesulfonate(20845-17-4)
    11. EPA Substance Registry System: (S)-Allyl 2-aMinopropanoate 4-Methylbenzenesulfonate(20845-17-4)
  • 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: 20845-17-4(Hazardous Substances Data)

20845-17-4 Usage

Uses

Used in Pharmaceutical Industry:
(S)-Allyl 2-aMinopropanoate 4-Methylbenzenesulfonate is used as an antineoplastic agent for its potential to interfere with the growth of cancer cells and inhibit the activity of the enzyme dihydrofolate reductase.
Used in Organic Synthesis:
(S)-Allyl 2-aMinopropanoate 4-Methylbenzenesulfonate is used as a reagent in the synthesis of pharmaceuticals and other organic compounds, particularly due to the properties of its 4-Methylbenzenesulfonate component.

Check Digit Verification of cas no

The CAS Registry Mumber 20845-17-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,8,4 and 5 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 20845-17:
(7*2)+(6*0)+(5*8)+(4*4)+(3*5)+(2*1)+(1*7)=94
94 % 10 = 4
So 20845-17-4 is a valid CAS Registry Number.

20845-17-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name L-alanine allyl ester hydro-p-toluenesulfonate

1.2 Other means of identification

Product number -
Other names (S)-Allyl 2-aminopropanoate 4-methylbenzenesulfonate

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:20845-17-4 SDS

20845-17-4Relevant articles and documents

Crystallization-induced asymmetric transformations. Enantiomerically pure (-)-(R)- and (+)-(S)-2,3-dibromopropan-1-ol and epibromohydrins. A study of dynamic resolution via the formation of diastereoisomeric esters

Brunetto, Gabriella,Gori, Susanna,Fiaschi, Rita,Napolitano, Elio

, p. 3785 - 3791 (2002)

(S)-2,3-Dibromopropan-1-ol of high enantiomer excess was obtained by crystallization-induced asymmetric transformations of racemic 2,3-dibromopropan-1-ol esterified with N-([1,1′-biphenyl]-4-ylcarbonyl-L-alanine; in particular, an asymmetric transformatio

Mild and highly chemoselective oxidation of thioethers mediated by Sc(OTf)3

Matteucci, Mizio,Bhalay, Gurdip,Bradley, Mark

, p. 235 - 237 (2007/10/03)

(Matrix presented) Catalytic Sc(OTf)3 greatly increases the efficiency of hydrogen peroxide mediated monooxidation of alkyl-aryl sulfides and methyl cysteine containing peptides. The method is high yielding, compatible with many widely used protecting groups, suitable for solid-phase applications and proceeds with minimum over-oxidation.

Allyl Esters as Selectively Removable Carboxy-protecting Functions in Peptide and N-Glycopeptide Syntheses

Waldmann, Herbert,Kunz, Horst

, p. 1712 - 1725 (2007/10/02)

Allyl esters are advantageous in protection of the carboxylic function in peptide and glycopeptide syntheses and can easily be synthesized from amino acids.They are stable under acidic conditions used for the removal of the Boc and Z groups.Under neutral or weakly basic conditions allyl esters are cleaved smoothly on treatment with catalytic amounts of tris(triphenylphosphane)rhodium(I) chloride in ethanol/water (9:1) leaving the N-protecting function and the N-glycosidic bond untouched.Selective deblocking of the α-carboxylic function of protected N-glycosylated asparagine derivatives 15 carried out in this way is exploited in C-terminal chain extension in the synthesis of N-glycotripeptides 17,e.g 17c, the latter representing a partial sequence of a human immunoglobulin G1.

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