4-Anilino-1-benzylisonipecotic acid hydrochloride

Base Information

• Chemical Name: 4-Anilino-1-benzylisonipecotic acid hydrochloride
• CAS No.: 61087-51-2
• Molecular Formula: C₁₉H₂₂N₂O₂*2ClH
• Molecular Weight: 383.318
• European Community (EC) Number: 262-599-7
• Mol file: 61087-51-2.mol

Synonyms:4-Anilino-1-benzylisonipecotic acid hydrochloride;EINECS 262-599-7;ISONIPECOTIC ACID, 4-ANILINO-1-BENZYL-, HYDROCHLORIDE;4-Piperidinecarboxylic acid, 1-benzyl-4-anilino-, hydrochloride;1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid monohydrochloride;LS-85064

Chemical Property of 4-Anilino-1-benzylisonipecotic acid hydrochloride

Chemical Property:

• Vapor Pressure: 1.22E-10mmHg at 25°C
• Boiling Point: 495.6°C at 760 mmHg
• Flash Point: 253.5°C
• PSA: 52.57000
• LogP: 4.03080
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 346.1448057
• Heavy Atom Count: 24
• Complexity: 379

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1(C(=O)O)[NH2+]C2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]

Technology Process of 4-Anilino-1-benzylisonipecotic acid hydrochloride

There total 4 articles about 4-Anilino-1-benzylisonipecotic acid 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: 100.0%

1-benzyl-4-phenylaminopiperidine-4-carboxylic acid amide (1096-03-3) → 1-benzyl-4-anilinoisonipecotic acid dihydrochloride (61087-51-2,61379-86-0)

Guidance literature:

With hydrogenchloride; In water;

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 1-benzyl-4-anilinoisonipecotic acid dihydrochloride (61087-51-2,61379-86-0)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid

2: sulfuric acid

3: hydrogenchloride / water

With hydrogenchloride; sulfuric acid; acetic acid; In water;

Reference yield:

1-benzyl-4-(phenylamino)piperidine-4-carbonitrile (968-86-5) → 1-benzyl-4-anilinoisonipecotic acid dihydrochloride (61087-51-2,61379-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid

2: hydrogenchloride / water

With hydrogenchloride; sulfuric acid; In water;

upstream raw materials:

1-phenylmethyl-4-piperidone

1-benzyl-4-(phenylamino)piperidine-4-carbonitrile

1-benzyl-4-phenylaminopiperidine-4-carboxylic acid amide

aniline

Downstream raw materials:

2,4-dioxo-1-phenyl-3-oxa-1,8-diaza-spiro[4.5]decane-8-carboxylic acid ethyl ester

Refernces