2-Benzamido-4-(methanesulfinyl)butanoic acid

Base Information

• Chemical Name: 2-Benzamido-4-(methanesulfinyl)butanoic acid
• CAS No.: 3054-52-2
• Molecular Formula: C₁₂H₁₅NO₄S
• Molecular Weight: 269.321
• DSSTox Substance ID: DTXSID90553015
• Mol file: 3054-52-2.mol

Synonyms:3054-52-2;2-Benzamido-4-(methanesulfinyl)butanoic acid;DTXSID90553015

Chemical Property of 2-Benzamido-4-(methanesulfinyl)butanoic acid

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 269.07217913
• Heavy Atom Count: 18
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)CCC(C(=O)O)NC(=O)C1=CC=CC=C1

Technology Process of 2-Benzamido-4-(methanesulfinyl)butanoic acid

There total 6 articles about 2-Benzamido-4-(methanesulfinyl)butanoic acid 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: 94.2%

N-benzoylmethionine (4703-38-2,10290-61-6,17966-61-9) → 2-benzamido-4-(methylsulfinyl)butyric acid (3054-52-2,115589-95-2)

Guidance literature:

With iron(III) chloride; dihydrogen peroxide; In water; at 0 ℃; for 1h;

Reference yield: 29.0%

methyl benzoyl-L-methioninate (50732-06-4) → N-benzoyl L-methionine sulphoxide (3054-52-2,39608-56-5,39608-57-6,115589-95-2) + Bz-Met(sulfoxide)-OMe (56782-76-4) + BzNHCH(CH2CH2SO2H)COOMe (115527-64-5) + Bz-Met(sulfone)-OMe (56762-94-8)

Guidance literature:

With 4-^tButyl iodoxybenzene; In chlorobenzene; for 3h; Further byproducts given; Heating;

DOI:10.1016/S0040-4020(01)87715-2

Reference yield:

(S)-N-benzoylmethionine (10290-61-6) → N-benzoyl L-methionine sulphoxide (3054-52-2,39608-56-5,39608-57-6,115589-95-2)

Guidance literature:

With dihydrogen peroxide; In acetone;

DOI:10.1246/bcsj.37.1787

upstream raw materials:

(S)-N-benzoylmethionine

methyl benzoyl-L-methioninate

benzoic acid N-hydroxysuccinimide ester

L-methionine sulfoxide

Downstream raw materials:

benzamide