Piperonal, thiosemicarbazone

Base Information

• Chemical Name: Piperonal, thiosemicarbazone
• CAS No.: 5351-85-9
• Molecular Formula: C9H9 N3 O2 S
• Molecular Weight: 223.255
• Hs Code.: 2934999090
• European Community (EC) Number: 226-330-7
• NSC Number: 727
• DSSTox Substance ID: DTXSID1063809
• Wikidata: Q76306231
• ChEMBL ID: CHEMBL3633873
• Mol file: 5351-85-9.mol

Synonyms:Piperonal, thiosemicarbazone;5351-85-9;Piperonal thiosemicarbazone;(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinecarbothioamide;C9H9N3O2S;Hydrazinecarbothioamide, 2-(1,3-benzodioxol-5-ylmethylene)-;NSC727;CHEMBL3633873;DTXSID1063809;HMS544N22;NSC-727;CCG-55697;MFCD00022968;STK011521;AKOS000304363;CS-0364741;[(E)-1,3-benzodioxol-5-ylmethyleneamino]thiourea;SR-01000644711-1;Hydrazinecarbothioamide,3-benzodioxol-5-ylmethylene)-;2-(Benzo[d][1,3]dioxol-5-ylmethylene)hydrazine-1-carbothioamide

Chemical Property of Piperonal, thiosemicarbazone

Chemical Property:

• Vapor Pressure: 4.08E-06mmHg at 25°C
• Boiling Point: 384.5°Cat760mmHg
• Flash Point: 186.3°C
• PSA: 100.96000
• Density: 1.5g/cm³
• LogP: 1.67360
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 223.04154771
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

PIPERONAL THIOSEMICARBAZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=NNC(=S)N
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)/C=N/NC(=S)N

Technology Process of Piperonal, thiosemicarbazone

There total 3 articles about Piperonal, 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: 98.0%

piperonal (120-57-0,30024-74-9) + thiosemicarbazide (79-19-6) → piperonal thiosemicarbazone (5351-85-9)

Guidance literature:

With sulfuric acid; In ethanol; at 40 ℃; for 4h;

DOI:10.1016/j.ejmech.2015.09.009

Reference yield: 56.0%

(E)-3-(benzo[d][1,3]dioxol-5-yl)-2-cyanoacryloyl chloride (1157954-32-9) + thiosemicarbazide (79-19-6) → (E)-3-(benzo[d][1,3]dioxol-5-yl)-2-cyanoacrylohydrazide (1246081-60-6) + piperonal thiosemicarbazone (5351-85-9)

Guidance literature:

With triethylamine; In 1,4-dioxane; for 1h; Reflux;

DOI:10.1080/10426500903176547

Reference yield:

{3,4-(OCH2O)2C6H3C(H)=N-}2 (3510-50-7,134691-72-8) + thiosemicarbazide (79-19-6) → piperonal thiosemicarbazone (5351-85-9)

Guidance literature:

With acetic acid;

upstream raw materials:

piperonal

thiosemicarbazide

{3,4-(OCH₂O)2C₆H₃C(H)=N-}2

(E)-3-(benzo[d][1,3]dioxol-5-yl)-2-cyanoacryloyl chloride

Downstream raw materials:

2-amino-5-(3,4-methylenedioxyphenyl)-1,3,4-thiadiazole

2-(2-(benzo[d][1,3]dioxol-5-ylmethylene)hydrazono)-3-benzylthiazolidin-4-one

N-[1-Benzo[1,3]dioxol-5-yl-meth-(E)-ylidene]-N'-[4-(2,4-dichloro-phenyl)-thiazol-2-yl]-hydrazine; hydrochloride

N-[1-Benzo[1,3]dioxol-5-yl-meth-(E)-ylidene]-N'-[4-(4-methoxy-phenyl)-thiazol-2-yl]-hydrazine; hydrobromide

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