N-(4-Chlorophenyl)cyclohepta-2,4,6-trien-1-imine

Base Information

• Chemical Name: N-(4-Chlorophenyl)cyclohepta-2,4,6-trien-1-imine
• CAS No.: 62515-93-9
• Molecular Formula: C13H10ClN
• Molecular Weight: 215.682
• DSSTox Substance ID: DTXSID00490604
• Nikkaji Number: J645.429A

Synonyms:N-(4-Chlorophenyl)cyclohepta-2,4,6-trien-1-imine;62515-93-9;DTXSID00490604

Chemical Property of N-(4-Chlorophenyl)cyclohepta-2,4,6-trien-1-imine

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 215.0501770
• Heavy Atom Count: 15
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=CC(=NC2=CC=C(C=C2)Cl)C=C1

Technology Process of N-(4-Chlorophenyl)cyclohepta-2,4,6-trien-1-imine

There total 1 articles about N-(4-Chlorophenyl)cyclohepta-2,4,6-trien-1-imine 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:

→ N-p-chlorophenyl-2,4,6-cycloheptatriene-1-imine (62515-93-9)

Guidance literature:

/Z1706110271/, Na2CO3;

Reference yield: 99.0%

N-p-chlorophenyl-2,4,6-cycloheptatriene-1-imine (62515-93-9) + diethyl benzalmalonate (5292-53-5) → (2S,3aS)-diethyl 1-(4-chlorophenyl)-1,2-dihydro-2-phenylcyclohepta[b]pyrrole-3,3(3aH)-dicarboxylate

Guidance literature:

diethyl benzalmalonate; With nickel(II) tetrafluoroborate hexahydrate; C₄₃H₆₄N₄O₄; In dichloromethane; at 35 ℃; for 0.5h;

N-p-chlorophenyl-2,4,6-cycloheptatriene-1-imine; In dichloromethane; at 0 ℃; for 9h; stereoselective reaction;

DOI:10.1002/anie.201209601

Reference yield: 92.0%

benzonitrile oxide (873-67-6) + N-p-chlorophenyl-2,4,6-cycloheptatriene-1-imine (62515-93-9) → 4-(4-Chloro-phenyl)-3-phenyl-1-oxa-2,4-diaza-spiro[4.6]undeca-2,6,8,10-tetraene (147196-12-1)

Guidance literature:

for 0.5h; Ambient temperature;

Downstream raw materials:

[3-(4-chloro-phenyl)-3,8a-dihydro-cycloheptathiazol-2-ylidene]-phenyl-amine

3-(4-Chloro-phenyl)-3,8a-dihydro-cycloheptathiazole-2-thione

4-(4-Chloro-phenyl)-3-phenyl-1-oxa-2,4-diaza-spiro[4.6]undeca-2,6,8,10-tetraene

1-(4-Chloro-phenyl)-2,2,4,4-tetramethyl-1,2,4,9-tetrahydro-cyclohepta[b]pyridin-3-one

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