CID 3529580

Base Information

• Chemical Name: CID 3529580
• CAS No.: 5072-26-4
• Molecular Formula: C₈H₁₈N₂O₃S
• Molecular Weight: 222.309
• Hs Code.: 29309090
• Mol file: 5072-26-4.mol

Synonyms:D0Z6VR

Chemical Property of CID 3529580

Chemical Property:

• Appearance/Colour: white fine powder
• Vapor Pressure: 6.64E-07mmHg at 25°C
• Melting Point: 215 °C (dec.)(lit.)
• Refractive Index: 1.537
• Boiling Point: 382.3°Cat760mmHg
• Flash Point: 185°C
• PSA: 112.62000
• Density: 1.29g/cm³
• LogP: 2.30100
• Storage Temp.: 2-8°C
• Solubility.: H2O: 50 mg/mL, clear, colorless
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.10381361
• Heavy Atom Count: 14
• Complexity: 279

Purity/Quality:

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

D,L-Buthionine-[S,R]-Sulfoximine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCS(=N)(=O)CCC(C(=O)[O-])[NH3+]
• Uses: A potent and specific inhibitor of alpha-glutamyl cysteine synthetase Biological tool for depletion of glutathione. DL-Buthionine-sulfoximine is suitable for use to:examine whether the inhibition of glutathione by BSO enhances the apoptotic effect of estrogen on antihormone-resistant human breast cancer cellsinvestigate the effect of BSO on development of bovine embryosinhibit GSH in several studiesinvestigate the effect of GSH synthesis on oocyte maturationIt may be used to inhibit GSH and evaluate the hepatotoxicity and nephrotoxicity of natural food colorants in the absence of GSH

Technology Process of CID 3529580

There total 2 articles about CID 3529580 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: 59.0%

tert-butyl 4-(N-acetyl-S-butylsulfonimidoyl)-2-[(tert-butoxycarbonyl)amino]butanoate (1616972-92-9) → L-buthionine-[SR]-sulfoximine (83730-53-4,5072-26-4,113158-69-3,97590-40-4,127708-41-2,71765-30-5)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 12h;

DOI:10.1002/adsc.201400354

Reference yield:

S-butyl-D,L-homocysteine (4378-14-7,13073-22-8,3343-64-4) → L-buthionine-[SR]-sulfoximine (83730-53-4,5072-26-4,113158-69-3,97590-40-4,127708-41-2,71765-30-5)

Guidance literature:

Multistep reaction; (i) H₂SO₄, CHCl₃, (ii) HN₃, benzene;

upstream raw materials:

S-butyl-D,L-homocysteine

tert-butyl 4-(N-acetyl-S-butylsulfonimidoyl)-2-[(tert-butoxycarbonyl)amino]butanoate

Refernces