Citral thiosemicarbazone

Base Information

• Chemical Name: Citral thiosemicarbazone
• CAS No.: 54097-74-4
• Molecular Formula: C11H19N3S
• Molecular Weight: 225.358
• Hs Code.: 2930909090
• Mol file: 54097-74-4.mol

Synonyms:Citral thiosemicarbazone;Antifungal agent 20;NSC 102228;BRN 1784309;2,6-OCTADIENAL, 3,7-DIMETHYL-, THIOSEMICARBAZONE;Hydrazinecarbothioamide, 2-(3,7-dimethyl-2,6-octadienylidene)-;3,7-Dimethyl-2,6-octadienal thiosemicarbazone;54097-74-4;C11H19N3S;C11-H19-N3-S;AKOS040757794;LS-97779;HY-132968;CS-0310740;2460281-94-9

Chemical Property of Citral thiosemicarbazone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 351.9°Cat760mmHg
• PKA: 11.69±0.70(Predicted)
• Flash Point: 166.6°C
• PSA: 82.50000
• Density: 1.01g/cm³
• LogP: 3.58930
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 225.12996879
• Heavy Atom Count: 15
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

3,7-DIMETHYL-2,6-OCTADIENAL THIOSEMICARBAZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CC=NNC(=S)N)C)C
• Isomeric SMILES: CC(=CCC/C(=C/C=N/NC(=S)N)/C)C

Technology Process of Citral thiosemicarbazone

There total 2 articles about Citral thiosemicarbazone 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: 89.84%

thiosemicarbazide (79-19-6) + (E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → (E)-2-((E)-3,7-dimethylocta-2,6-dien-1-ylidene)hydrazine-1-carbothioamide (54097-74-4)

Guidance literature:

In ethanol; water; at 60 ℃;

Reference yield:

3,7-dimethyl-2,6-octadienal (141-27-5,96680-15-8) + thiosemicarbazide (79-19-6) → (E)-2-((E)-3,7-dimethylocta-2,6-dien-1-ylidene)hydrazine-1-carbothioamide (54097-74-4)

Guidance literature:

In ethanol; for 1h; Reflux;

DOI:10.1021/acs.jnatprod.9b01089

Reference yield: 86.49%

(E)-2-((E)-3,7-dimethylocta-2,6-dien-1-ylidene)hydrazine-1-carbothioamide (54097-74-4) + α-bromoacetophenone (70-11-1) → C19H23N3S

Guidance literature:

In ethanol; water; at 20 ℃;

upstream raw materials:

thiosemicarbazide

(E/Z)-3,7-dimethyl-2,6-octadienal

3,7-dimethyl-2,6-octadienal