1-Benzylpiperidine-4-carbonyl chloride

Base Information

• Chemical Name: 1-Benzylpiperidine-4-carbonyl chloride
• CAS No.: 108297-01-4
• Molecular Formula: C13H16ClNO
• Molecular Weight: 237.729
• DSSTox Substance ID: DTXSID40596477
• Wikidata: Q82491740
• Mol file: 108297-01-4.mol

Synonyms:1-benzylpiperidine-4-carbonyl chloride;108297-01-4;1-benzyl-piperidine-4-carboxylic acid chloride;SCHEMBL3290324;DTXSID40596477;PMOIXSCKTPAQIZ-UHFFFAOYSA-N;DB-097880;1-benzylpiperidine-4-carboxylic acid chloride

Chemical Property of 1-Benzylpiperidine-4-carbonyl chloride

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 237.0920418
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)Cl)CC2=CC=CC=C2

Technology Process of 1-Benzylpiperidine-4-carbonyl chloride

There total 5 articles about 1-Benzylpiperidine-4-carbonyl chloride 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-benzylpiperidine-4-carboxylic acid (10315-07-8) → 1-benzylpiperidine-4-carbonyl chloride (108297-01-4)

Guidance literature:

With thionyl chloride; for 2h; Heating;

DOI:10.1002/hlca.19970800515

Reference yield:

4-carbethoxypiperidine (1126-09-6) → 1-benzylpiperidine-4-carbonyl chloride (108297-01-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / K₂CO₃ / dimethylformamide / 3 h / 120 °C

2: 4N NaOH / tetrahydrofuran / 72 h / Ambient temperature

3: SOCl₂ / 2 h / Heating

With sodium hydroxide; thionyl chloride; potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1002/hlca.19970800515

Reference yield:

N-benzyl isonipecotic acid ethyl ester (24228-40-8) → 1-benzylpiperidine-4-carbonyl chloride (108297-01-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 4N NaOH / tetrahydrofuran / 72 h / Ambient temperature

2: SOCl₂ / 2 h / Heating

With sodium hydroxide; thionyl chloride; In tetrahydrofuran;

DOI:10.1002/hlca.19970800515

upstream raw materials:

N-benzylpiperidine-4-carboxylic acid

4-carbethoxypiperidine

benzyl chloride

N-benzyl isonipecotic acid ethyl ester

Downstream raw materials:

N-[4-(aminocarbonyl)phenyl]-piperidine-4-carboxamide

2-(1-benzylpiperidin-4-yl)-5-bromobenzo[d]oxazole

C₂₅H₃₃N₃O₃

N-[4-(aminocarbonyl)phenyl]-1-benzylpiperidine-4-carboxamide