(2S)-2-azaniumyl-4-[(R)-methylsulfinyl]butanoate

Base Information

• Chemical Name: (2S)-2-azaniumyl-4-[(R)-methylsulfinyl]butanoate
• CAS No.: 62697-73-8
• Molecular Formula: C₅H₁₁NO₃S
• Molecular Weight: 165.213
• Hs Code.: 2930909899
• Mol file: 62697-73-8.mol

Synonyms:(2S)-2-azaniumyl-4-[(R)-methylsulfinyl]butanoate;Butanoic acid, 2-amino-4-(methylsulfinyl)-, (R*,S*)- (9CI);121249-48-7;L-methionine-R-sulfoxide;L-methionine-(R)-S-oxide;CHEBI:58773;L-methionine (R)-S-oxide zwitterion

Chemical Property of (2S)-2-azaniumyl-4-[(R)-methylsulfinyl]butanoate

Chemical Property:

• Melting Point: 240oC
• Boiling Point: 434.3°Cat760mmHg
• PKA: 2.14±0.10(Predicted)
• Flash Point: 216.4°C
• PSA: 99.60000
• Density: 1.385g/cm³
• LogP: 0.73290
• Water Solubility.: Soluble in water and Hcl.
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 165.04596439
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

DL-Methionine Sulfoxide >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)CCC(C(=O)[O-])[NH3+]
• Isomeric SMILES: C[S@@](=O)CC[C@@H](C(=O)[O-])[NH3+]
• Uses: DL-Methionine sulfoxide is used as pharmaceutical intermediates.

Technology Process of (2S)-2-azaniumyl-4-[(R)-methylsulfinyl]butanoate

There total 3 articles about (2S)-2-azaniumyl-4-[(R)-methylsulfinyl]butanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

L-(+)-Methionine (63-68-3,26062-47-5,58576-49-1) → 2-Amino-4-methanesulfinyl-butyric acid (454-41-1,3226-65-1,3226-66-2,21056-56-4,23631-84-7,50896-97-4,50896-98-5,62697-73-8,121249-47-6,121249-48-7,86631-49-4,779988-65-7)

Guidance literature:

With nitric acid; tetrabutylammonium tetrabromoaurate(III); In nitromethane; for 1h; Ambient temperature;

DOI:10.1021/jo00291a043

Reference yield:

DL-methionine (59-51-8,26062-47-5,58576-49-1) → methionine (R)-sulfoxide (86631-49-4,779988-65-7) + methionine (S)-sulfoxide (454-41-1,3226-65-1,3226-66-2,21056-56-4,23631-84-7,50896-97-4,50896-98-5,62697-73-8,121249-47-6,121249-48-7,86631-49-4,779988-65-7)

Guidance literature:

With chlorine dioxide; In water; at 30 ℃; for 1h;

DOI:10.1007/s10600-009-9182-8

Reference yield:

→ methionine (S)-sulfoxide (454-41-1,3226-65-1,3226-66-2,21056-56-4,23631-84-7,50896-97-4,50896-98-5,62697-73-8,121249-47-6,121249-48-7,86631-49-4,779988-65-7)

Guidance literature:

(S)-Methionin, HAuCl4;

DOI:10.1039/C39730000878

upstream raw materials:

L-(+)-Methionine

DL-methionine

Refernces

• 1、 Gasparrini, Francesco,Giovannoli, Mario,Misiti, Domenico,Natile, Giovanni,Palmieri, Gianni. "A General Procedure for the Selective Oxidation of Sulfides to Sulfoxides by Nitric Acid: Tetrabromoaurate(III) Catalyst in a Biphasic System". . p. 1323 - 1328. Retrieved 2007/10/02.