[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]urea

Base Information

• Chemical Name: [(Z)-1-(5-methylfuran-2-yl)ethylideneamino]urea
• CAS No.: 6967-83-5
• Molecular Formula: C₈H₁₁N₃O₂
• Molecular Weight: 181.194
• Hs Code.: 2934999090
• NSC Number: 20687
• DSSTox Substance ID: DTXSID80417859
• Mol file: 6967-83-5.mol

Synonyms:NSC20687;6967-83-5;DTXSID80417859;NSC-20687

Chemical Property of [(Z)-1-(5-methylfuran-2-yl)ethylideneamino]urea

Chemical Property:

• PSA: 80.62000
• Density: 1.284g/cm³
• LogP: 2.07150
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 181.085126602
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)C(=NNC(=O)N)C
• Isomeric SMILES: CC1=CC=C(O1)/C(=N\NC(=O)N)/C

Technology Process of [(Z)-1-(5-methylfuran-2-yl)ethylideneamino]urea

There total 3 articles about [(Z)-1-(5-methylfuran-2-yl)ethylideneamino]urea 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:

2-methylfuran (534-22-5) → Methyl-<5-methyl-<2>furyl>-keton-semicarbazon (6967-83-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tin (IV)-chloride

With tin(IV) chloride;

Reference yield:

2-acetyl-5-methylfuran (1193-79-9) + hydrazine carboxamide (4426-72-6,51433-48-8,57-56-7) → Methyl-<5-methyl-<2>furyl>-keton-semicarbazon (6967-83-5)

Guidance literature:

DOI:10.1021/ja01164a103 DOI:10.1002/hlca.19300130307

Reference yield:

furfural (98-01-1) → Methyl-<5-methyl-<2>furyl>-keton-semicarbazon (6967-83-5)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrazine hydrate; ethylene glycol; aqueous NaOH-solution / bei aufeinanderfolgendem Erhitzen

2: tin (IV)-chloride

With sodium hydroxide; tin(IV) chloride; hydrazine hydrate; ethylene glycol;

upstream raw materials:

2-acetyl-5-methylfuran

hydrazine carboxamide

2-methylfuran

furfural