N-((2-Chloro-3-((phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)aniline hydrochloride

Base Information

• Chemical Name: N-((2-Chloro-3-((phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)aniline hydrochloride
• CAS No.: 63857-00-1
• Molecular Formula: C₂₀H₁₉ClN₂*ClH
• Molecular Weight: 359.298
• Hs Code.: 2925290090
• European Community (EC) Number: 613-390-8
• Mol file: 63857-00-1.mol

Synonyms:63857-00-1;N-((2-Chloro-3-((phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)aniline hydrochloride;N-[(3-(Anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline monohydrochloride;3-Chloro-2,4-trimethylenenglutacondianil hydrochloride;MFCD00191759;N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline;hydrochloride;N-((E)-(2-chloro-3-((E)-(phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)aniline hydrochloride;N-((2-CHLORO-3-((PHENYLIMINO)METHYL)CYCLOHEX-2-EN-1-YLIDENE)METHYL)ANILINE HCL;EC 613-390-8;SCHEMBL1405392;SCHEMBL20304777;SCHEMBL21905131;AMY37825;BCP12690;AKOS015900795;AS-50331;BP-31063;N,N'-((2-Chlorocyclohex-1-en-1 -yl-3-ylidene)di(E)methylylidene)dianiline hydrochloride (1:1);PD130982;CS-0028758;O11983;EN300-7418284;A834561;F9995-0075;N-((2-Chloro-3-((phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)anilinehydrochloride;N-[(3-(Anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline monohydrochloride, 94%;N-[[2-chloro-3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline hydrochloride;N-{[(1E)-2-chloro-3-[(E)-(phenylimino)methyl]cyclohex-2-en-1-ylidene]methyl}aniline hydrochloride

Chemical Property of N-((2-Chloro-3-((phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)aniline hydrochloride

Chemical Property:

• Vapor Pressure: 2.24E-09mmHg at 25°C
• Melting Point: 224 °C (dec.)(lit.)
• Boiling Point: 473.9 °C at 760 mmHg
• Flash Point: 240.4 °C
• PSA: 24.39000
• LogP: 6.93670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 358.1003540
• Heavy Atom Count: 24
• Complexity: 466

Purity/Quality:

98%, ^*data from raw suppliers

N-((2-Chloro-3-((phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)anilineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(=CNC2=CC=CC=C2)C(=C(C1)C=NC3=CC=CC=C3)Cl.Cl
• Isomeric SMILES: C1C/C(=C\NC2=CC=CC=C2)/C(=C(C1)C=NC3=CC=CC=C3)Cl.Cl
• Uses: N-((2-Chloro-3-((phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)aniline hydrochloride is a useful research chemical.

Technology Process of N-((2-Chloro-3-((phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)aniline hydrochloride

There total 12 articles about N-((2-Chloro-3-((phenylimino)methyl)cyclohex-2-en-1-ylidene)methyl)aniline hydrochloride 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: 97.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + aniline (62-53-3) → N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride (63857-00-1,70446-42-3)

Guidance literature:

cyclohexanone; N,N-dimethyl-formamide; With trichlorophosphate; for 1h; Reflux;

aniline; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1080/17415993.2013.778258

Reference yield: 84.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + aniline (62-53-3) → N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride (63857-00-1,70446-42-3)

Guidance literature:

cyclohexanone; With trichlorophosphate; In N,N-dimethyl-formamide; at 0 ℃; for 1h; Reflux;

aniline; In ethanol; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1039/c4cc10425k

Reference yield: 61.0%

ethanol (64-17-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + aniline (62-53-3) → N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride (63857-00-1,70446-42-3)

Guidance literature:

cyclohexanone; With trichlorophosphate; In N,N-dimethyl-formamide; at 2 ℃; for 1.5h; Reflux;

ethanol; aniline; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h;

upstream raw materials:

cyclohexanone

N,N-dimethyl-formamide

aniline

2-Chlor-3-dimethylamino-methylen-cyclohex-1-en-carbaldehyd

Downstream raw materials:

2-((E)-2-((E)-2-chloro-3-(2-((E)-1,3,3-trimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium iodide

Refernces

• 1、 -. "Ligand taking indocyanine green derivative as carrier as well as preparation method and application of ligand". Paragraph 0212; 0215; 0220-0221; 0280; 0283; 0287-0288. . Retrieved 2021/06/23.
• 2、 -. "NIR/MRI bimodal contrast agent, and preparation method and application thereof". Paragraph 0172-0180. . Retrieved 2021/07/24.