Phthiobuzone

Base Information

• Chemical Name: Phthiobuzone
• CAS No.: 79512-50-8
• Molecular Formula: C₁₄H₁₅N₇O₂S₂
• Molecular Weight: 377.451
• NSC Number: 612644
• Mol file: 79512-50-8.mol

Synonyms:2,2'-(1-(1-(1,3(2H)-dioxo-1H-isoindol-2-yl)ethyl)-1,2-ethanediylidene)bis-hydrazine carbothiamide;3-phthalimido-2-oxobutyraldehyde-bis-thiosemicarbazone;phthiobuzone;phtiobuzone;tai-ding-an;V-6133

Chemical Property of Phthiobuzone

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 377.07286509
• Heavy Atom Count: 25
• Complexity: 625

Purity/Quality:

98%Min ^*data from raw suppliers

FTIBAMZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=NNC(=S)N)C=NNC(=S)N)N1C(=O)C2=CC=CC=C2C1=O
• Isomeric SMILES: CC(/C(=N/NC(=S)N)/C=N/NC(=S)N)N1C(=O)C2=CC=CC=C2C1=O

Technology Process of Phthiobuzone

There total 5 articles about Phthiobuzone 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: 94.0%

3-phthalimido-2-oxo-n-butyraldehyde + thiosemicarbazide (79-19-6) → ftibamzone (70386-40-2,79512-50-8)

Guidance literature:

In water; dimethyl sulfoxide; at 90 ℃; for 3h; Temperature;

Reference yield:

2-(2-hydroxy-1-methyl-propyl)-isoindole-1,3-dione → ftibamzone (70386-40-2,79512-50-8)

Guidance literature:

Multi-step reaction with 3 steps

1: [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; 2,6-Di-tert-butyl-1,4-benzoquinone; manganese(IV) oxide / acetone / 17 h / 65 °C / Inert atmosphere

2: selenium(IV) oxide / 1,4-dioxane / 18 h / Reflux

3: ethanol; water / 1 h / Reflux

With manganese(IV) oxide; selenium(IV) oxide; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; 2,6-Di-tert-butyl-1,4-benzoquinone; In 1,4-dioxane; ethanol; water; acetone;

Reference yield:

2-phthalimidopropionic acid (21860-84-4) → ftibamzone (70386-40-2,79512-50-8)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran; diethyl ether / 1 h / -70 - 20 °C

2: selenium(IV) oxide / water; 1,4-dioxane / 20 h / 90 - 100 °C

3: water; ethanol / 2 h / 90 - 100 °C

With selenium(IV) oxide; In tetrahydrofuran; 1,4-dioxane; diethyl ether; ethanol; water;

upstream raw materials:

thiosemicarbazide

2-phthalimidopropionic acid

N-ethoxycarbonylphthalimide

potassium phtalimide

Refernces

• 1、 -. "Preparation method of 3-phthalimide-2-oxy-n-butyraldehyde thiosemicarbazide". Paragraph 0059; 0061-0064; 0066. . Retrieved 2019/08/12.