Methionine sulfone zwitterion

Base Information

• Chemical Name: Methionine sulfone zwitterion
• CAS No.: 7314-32-1
• Molecular Formula: C5H11NO4S
• Molecular Weight: 181.213
• Hs Code.: 29309090
• Mol file: 7314-32-1.mol

Synonyms:methionine sulfone zwitterion;L-methionine sulfone zwitterion;CHEBI:87824

Chemical Property of Methionine sulfone zwitterion

Chemical Property:

• Appearance/Colour: crystalline
• Vapor Pressure: 2.26E-09mmHg at 25°C
• Melting Point: ~275 °C (dec.)
• Refractive Index: 1.512
• Boiling Point: 450.5 °C at 760 mmHg
• PKA: 2.10±0.10(Predicted)
• Flash Point: 226.3 °C
• PSA: 105.84000
• Density: 1.385 g/cm³
• LogP: 0.61410
• Storage Temp.: 2-8°C
• Solubility.: Aqueous Acid (Sparingly), Water (Sparingly, Heated, Sonicated)
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.04087901
• Heavy Atom Count: 11
• Complexity: 222

Purity/Quality:

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

L-Methionine sulfone 99+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CS(=O)(=O)CCC(C(=O)[O-])[NH3+]
• Isomeric SMILES: CS(=O)(=O)CC[C@@H](C(=O)[O-])[NH3+]
• Uses: L-Methionine Sulfone is an impurity of L-Methionine (M260440) which is an essential aminoacid for human development. L-Methionine is a hepatoprotectant, an antidote (acetominophen poisoning) and a urinary acidifier.

Technology Process of Methionine sulfone zwitterion

There total 22 articles about Methionine sulfone zwitterion 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: 91.0%

L-methionine (63-68-3,26062-47-5,58576-49-1) → L-methionine sulfone (7314-32-1,1118-85-0)

Guidance literature:

With urea hydrogen peroxide adduct; In ethanol; at 20 ℃; for 0.25h;

DOI:10.1016/j.catcom.2020.105931

Reference yield: 50.0%

L-methionine sulfoxide (3226-65-1,86631-49-4,779988-65-7) + trans-5-chloro-6-hydroperoxy-5,6-dihydrothymine (110815-41-3,112983-29-6,144208-80-0) → L-methionine sulfone (7314-32-1,1118-85-0) + trans-5-chloro-6-hydroxy-5,6-dihydrothymine (2075-32-3,7311-23-1)

Guidance literature:

In water-d2; for 72h;

DOI:10.1246/cl.1987.841

Reference yield: 35.0%

2-Acetylamino-4-methanesulfonyl-butyric acid → L-methionine sulfone (7314-32-1,1118-85-0)

Guidance literature:

With acylase from Aspergillus oryzae; water; at 20 - 37 ℃;

DOI:10.1016/S0957-4166(97)00400-X

upstream raw materials:

L-methionine

N-formyl-L-methionine S,S-dioxide

L-methionine sulfoxide

trans-5-chloro-6-hydroperoxy-5,6-dihydrothymine

Downstream raw materials:

N-Boc-L-methionine sulfone

(S)-3-Benzyloxycarbonylamino-N-((S)-3-methanesulfonyl-1-methoxycarbonyl-propyl)-succinamic acid benzyl ester

2-({(S)-3-Methanesulfonyl-1-[2-oxo-2-(4-phenylazo-phenyl)-ethoxycarbonyl]-propylamino}-methylene)-malonic acid diethyl ester

Boc-Met(O₂)-Glu(OtBu)-His-Phe(I)-D-Lys(Boc)-Phe-OtBu

Refernces

• 1、 ?or?evi?, Luka,Cai, Kang,Chen, Hongliang,Chen, Xiao-Yang,Feng, Yuanning,Jaynes, Tyler,Jiao, Yang,Mao, Haochuan,Qiu, Yunyan,Stoddart, J. Fraser,Stupp, Samuel I.,Wasielewski, Michael R.,Young, Ryan M.,Zhang, Long. "A Donor-Acceptor [2]Catenane for Visible Light Photocatalysis". supporting information. p. 8000 - 8010. Retrieved 2021/06/27.
• 2、 Elsherbini, Mohamed,Allemann, Rudolf K.,Wirth, Thomas. "“Dark” Singlet Oxygen Made Easy". supporting information. p. 12486 - 12490. Retrieved 2019/08/26.