[(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]urea

Base Information

• Chemical Name: [(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]urea
• CAS No.: 91341-66-1
• Molecular Formula: C₁₁H₁₇N₃O
• Molecular Weight: 207.275
• NSC Number: 128363
• DSSTox Substance ID: DTXSID20421293

Synonyms:NSC128363;91341-66-1;DTXSID20421293;NSC-128363

Chemical Property of [(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]urea

Chemical Property:

• Density: 1.32g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 207.137162174
• Heavy Atom Count: 15
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=CC(=NNC(=O)N)CCC2C1
• Isomeric SMILES: C1CCC2=C/C(=N/NC(=O)N)/CCC2C1

Technology Process of [(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]urea

There total 3 articles about [(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]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:

Cyclohexanone-2-carbaldehyde (1193-63-1) → (2-Keto-2,3,4,5,6,7,8-octahydro-naphthalin)-semicarbazon (91341-66-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium methylate; methanol / anschl. mit wss. NaOH

With methanol; sodium methylate;

DOI:10.1021/ja01607a054

Reference yield:

4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one (1196-55-0) → (2-Keto-2,3,4,5,6,7,8-octahydro-naphthalin)-semicarbazon (91341-66-1)

Guidance literature:

DOI:10.1039/jr9440000430 DOI:10.1021/ja01119a045 DOI:10.1039/jr9370000053 DOI:10.1002/hlca.19490320418 DOI:10.1021/ja01607a054

Reference yield:

8a-hydroxy-2-decalone (60505-89-7) + semicarbazide hydrochloride (563-41-7) → 2-Semicarbazono-Δ1,9-octalin (91341-66-1)

Guidance literature:

With pyridine;

DOI:10.1021/jo01031a058

upstream raw materials:

4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one

Cyclohexanone-2-carbaldehyde

8a-hydroxy-2-decalone

semicarbazide hydrochloride

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