4-Methylsulfinyl-3-butenyl glucosinolate

Base Information

• Chemical Name: 4-Methylsulfinyl-3-butenyl glucosinolate
• CAS No.: 28463-24-3
• Deprecated CAS: 1006431-41-9,1245747-39-0
• Molecular Formula: C12H21 N O10 S3
• Molecular Weight: 435.497
• Metabolomics Workbench ID: 53203
• Wikidata: Q104387681
• Mol file: 28463-24-3.mol

Synonyms:4-methylsulfinyl-3-butenyl GL;4-methylsulfinyl-3-butenyl glucosinolate;glucoraphenin

Chemical Property of 4-Methylsulfinyl-3-butenyl glucosinolate

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -3.03±0.18(Predicted)
• Flash Point: °C
• PSA: 236.07000
• Density: g/cm³
• LogP: 0.27130
• XLogP3: -2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 435.03275939
• Heavy Atom Count: 26
• Complexity: 632

Purity/Quality:

98.5% ^*data from raw suppliers

GLUCORAPHENIN 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)C=CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
• Isomeric SMILES: CS(=O)/C=C/CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Technology Process of 4-Methylsulfinyl-3-butenyl glucosinolate

There total 1 articles about 4-Methylsulfinyl-3-butenyl glucosinolate 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: 97.0%

glucoraphasatin (28463-23-2) → 4-methylsulfinyl-3-butenyl glucosinolate (28463-24-3)

Guidance literature:

With dihydrogen peroxide; at 20 ℃; for 6h;

DOI:10.1021/jf073123c

Reference yield:

4-methylsulfinyl-3-butenyl glucosinolate (28463-24-3) → 4-methylsulfinyl-3-butenyl isothiocyanate (592-95-0)

Guidance literature:

With myrosinase; water;

DOI:10.1021/jf073123c

upstream raw materials:

glucoraphasatin

Downstream raw materials:

4-methylsulfinyl-3-butenyl isothiocyanate

Refernces