D,L-SULFORAPHANE N-ACETYL-L-CYSTEINE

Base Information

• Chemical Name: D,L-SULFORAPHANE N-ACETYL-L-CYSTEINE
• CAS No.: 334829-66-2
• Molecular Formula: C₁₁H₂₀N₂O₄S₃
• Molecular Weight: 340.489
• Mol file: 334829-66-2.mol

Synonyms:N-Acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine;Sulforaphane NAC;D,L-Sulforaphane N-Acetyl-L-cysteine;

Chemical Property of D,L-SULFORAPHANE N-ACETYL-L-CYSTEINE

Chemical Property:

• Melting Point: 106-108oC
• PKA: 3.13±0.10(Predicted)
• PSA: 172.10000
• Density: 1.371±0.06 g/cm3(Predicted)
• LogP: 1.98960
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly, Sonicated)

Purity/Quality:

98%Min ^*data from raw suppliers

D,L-Sulforaphane N-Acetyl-L-cysteine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: The major labelled metabolite of Sulforaphane. Sulforaphane (SFN) is an isothiocyanate from broccoli that induces phase 2 detoxification enzymes. Antitumor agent The major metabolite of Sulforaphane. Sulforaphane (SFN) is an isothiocyanate from broccoli that induces phase 2 detoxification enzymes. Antitumor agent The major metabolite of Sulforaphane. Sulforaphane (SFN) is an isothiocyanate from broccoli that induces phase 2 detoxification enzymes. Antitumor agent.

Technology Process of D,L-SULFORAPHANE N-ACETYL-L-CYSTEINE

There total 4 articles about D,L-SULFORAPHANE N-ACETYL-L-CYSTEINE 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: 69.5%

D,L-sulforaphane (4478-93-7) + N-acetylcystein (616-91-1,7696-05-1) → sulforaphane-N-acetyl-cysteine (334829-66-2)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; water;

DOI:10.1016/S0223-5234(03)00141-7

Reference yield:

4-(methylthio)-1-butylamine (55021-77-7) → sulforaphane-N-acetyl-cysteine (334829-66-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 12.5 mmol / sodium hydroxide / CHCl₃

2: 100 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 0.5 h

3: 69.5 percent / sodium hydrogen carbonate / ethanol; H₂O

With sodium hydroxide; sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In ethanol; dichloromethane; chloroform; water;

DOI:10.1016/S0223-5234(03)00141-7

Reference yield:

erucin (4430-36-8) → sulforaphane-N-acetyl-cysteine (334829-66-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 0.5 h

2: 69.5 percent / sodium hydrogen carbonate / ethanol; H₂O

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In ethanol; dichloromethane; water;

DOI:10.1016/S0223-5234(03)00141-7

upstream raw materials:

D,L-sulforaphane

N-acetylcystein

4-(methylthio)-1-butylamine

erucin

Refernces

• 1、 Vermeulen, Martijn,Zwanenburg, Binne,Chittenden, Gordon J.F.,Verhagen, Hans. "Synthesis of isothiocyanate-derived mercapturic acids". . p. 729 - 737. Retrieved 2007/10/03.