1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile

Base Information

• Chemical Name: 1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile
• CAS No.: 972-17-8
• Molecular Formula: C20H23 N3
• Molecular Weight: 305.423
• Hs Code.: 2933399090
• European Community (EC) Number: 213-541-4
• NSC Number: 73008
• DSSTox Substance ID: DTXSID30914060
• Nikkaji Number: J298.575F
• Wikidata: Q82884798
• ChEMBL ID: CHEMBL1904336
• Mol file: 972-17-8.mol

Synonyms:972-17-8;1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile;NSC73008;1-benzyl-4-(2-methylanilino)piperidine-4-carbonitrile;MLS002693816;EINECS 213-541-4;NSC 73008;1-Benzyl-4-(2-toluidino)-4-piperidinecarbonitrile;SCHEMBL6045501;CHEMBL1904336;DTXSID30914060;HMS3085L15;NSC-73008;AKOS024323088;SMR001559757;1-BENZYL-4-CYANO-4-(ORTHO-TOLUIDINO)-PIPERIDINE;1-benzyl-4-(2-methylphenylamino)piperidine-4-carbonitrile;1-Benzyl-4-[(2-methylphenyl)amino]-4-piperidinecarbonitrile

Chemical Property of 1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile

Chemical Property:

• Vapor Pressure: 1.66E-09mmHg at 25°C
• Boiling Point: 483.6°Cat760mmHg
• Flash Point: 246.3°C
• PSA: 39.06000
• Density: 1.13g/cm³
• LogP: 3.97618
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 305.189197746
• Heavy Atom Count: 23
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC2(CCN(CC2)CC3=CC=CC=C3)C#N

Technology Process of 1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile

There total 2 articles about 1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile 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: 89.0%

1-phenylmethyl-4-piperidone (3612-20-2) + trimethylsilyl cyanide (7677-24-9) + o-toluidine (95-53-4) → 1-benzyl-4-(o-toluidino)piperidine-4-carbonitrile (972-17-8)

Guidance literature:

1-phenylmethyl-4-piperidone; trimethylsilyl cyanide; o-toluidine; In acetic acid; at 0 - 40 ℃; for 1.16667h;

With ammonia; In water; at 0 ℃; pH=10;

Reference yield:

→ 1-benzyl-4-(o-toluidino)piperidine-4-carbonitrile (972-17-8)

Guidance literature:

entspr. Piperidon IV, KCN, entspr. Amin;

Reference yield: 95.0%

4-Methylthiazole (693-95-8) + 1-benzyl-4-(o-toluidino)piperidine-4-carbonitrile (972-17-8) → [1-benzyl-4-(4-methylthiazol-2-yl)-4-piperidinyl](2-methylphenyl)amine

Guidance literature:

4-Methylthiazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h;

1-benzyl-4-(o-toluidino)piperidine-4-carbonitrile; at -78 - 0 ℃; for 0.5h;

upstream raw materials:

1-phenylmethyl-4-piperidone

trimethylsilyl cyanide

o-toluidine

Downstream raw materials:

N-[1-benzyl-4-(4-methylthiazol-2-yl)-4-piperidinyl]-N-(2-methylphenyl)acetamide

N-[1-benzyl-4-(4-methylthiazol-2-yl)-4-piperidinyl]-N-(2-methylphenyl)acetamide oxalate