1,3-Benzodioxole-5-carbaldehyde semicarbazone

Base Information

• Chemical Name: 1,3-Benzodioxole-5-carbaldehyde semicarbazone
• CAS No.: 16742-62-4
• Molecular Formula: C9H9 N3 O3
• Molecular Weight: 207.189
• Hs Code.: 2934999090
• NSC Number: 14837
• Mol file: 16742-62-4.mol

Synonyms:16742-62-4;1,3-Benzodioxole-5-carbaldehyde semicarbazone;[(E)-1,3-benzodioxol-5-ylmethylideneamino]urea;Hydrazinecarboxamide, 2-(1,3-benzodioxol-5-ylmethylene)-;NSC14837;UXJOKOHHCILTGL-NYYWCZLTSA-N;NSC-14837;STK796704;AKOS000304362;CCG-242087;3,4-methylenedioxybenzaldehyde semicarbazone;1-(3,4-Methylenedioxybenzylidene)semicarbazide;1,3-Benzodioxole-5-carbaldehyde semicarbazone #;2-(1,3-benzodioxol-5-ylmethylidene)hydrazine-1-carboxamide;(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinecarboxamide;(e)-2-(benzo[d][1,3]dioxol-5-ylmethylene)hydrazinecarboxamide

Chemical Property of 1,3-Benzodioxole-5-carbaldehyde semicarbazone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 85.94000
• Density: 1.51g/cm³
• LogP: 1.50870
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 207.06439116
• Heavy Atom Count: 15
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

[(Z)-1,3-BENZODIOXOL-5-YLMETHYLIDENEAMINO]UREA 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(=O)N
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)N

Technology Process of 1,3-Benzodioxole-5-carbaldehyde semicarbazone

There total 7 articles about 1,3-Benzodioxole-5-carbaldehyde semicarbazone 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:

Piperonal-phenylhydrazon (23550-76-7) + semicarbazide acetate (56542-16-6) → ethanol (64-17-5) + 3,4-methylenedioxybenzaldehyde semicarbazone (16742-62-4)

Guidance literature:

Reference yield:

semicarbazide acetate (56542-16-6) + {3,4-(OCH2O)2C6H3C(H)=N-}2 (3510-50-7,134691-72-8) → ethanol (64-17-5) + 3,4-methylenedioxybenzaldehyde semicarbazone (16742-62-4)

Guidance literature:

Reference yield:

semicarbazide hydrochloride (563-41-7) → 3,4-methylenedioxybenzaldehyde semicarbazone (16742-62-4)

Guidance literature:

With ethanol; water; sodium acetate;

upstream raw materials:

piperonal

semicarbazide hydrochloride

sodium acetate

hydrazine carboxamide

Downstream raw materials:

5-methyl-1,3-benzodioxole

hydrazodicarboxamide

Piperonal-phenylhydrazon