1-N-BOC-4-(3-BROMOPHENYL)-4-CYANOPIPERIDINE

Base Information

• Chemical Name: 1-N-BOC-4-(3-BROMOPHENYL)-4-CYANOPIPERIDINE
• CAS No.: 849928-28-5
• Molecular Formula: C17H21BrN2O2
• Molecular Weight: 365.27
• Hs Code.: 2933399090
• Mol file: 849928-28-5.mol

Synonyms:1-BOC-4-CYANO-4-(3-BROMOPHENYL)-PIPERIDINE;1-N-BOC-4-(3-BROMOPHENYL)PIPERIDINE-4-CARBONITRILE;

Chemical Property of 1-N-BOC-4-(3-BROMOPHENYL)-4-CYANOPIPERIDINE

Chemical Property:

• Boiling Point: 469.6±45.0 °C(Predicted)
• PKA: -3.50±0.40(Predicted)
• PSA: 53.33000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 4.17928

Purity/Quality:

NLT 98% ^*data from raw suppliers

tert-Butyl 4-(3-bromophenyl)-4-cyano-1-piperidinecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-N-BOC-4-(3-BROMOPHENYL)-4-CYANOPIPERIDINE

There total 3 articles about 1-N-BOC-4-(3-BROMOPHENYL)-4-CYANOPIPERIDINE 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: 63.0%

(3-bromophenyl)acetonitrile (31938-07-5) + N-(tert-butyloxycarbonyl)bis(2-chloroethyl)amine (118753-70-1) → tert-butyl 4-(3-bromophenyl)-4-cyanopiperidine-1-carboxylate (849928-28-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 60 ℃; for 17h;

DOI:10.1016/j.ejmech.2017.06.067

Reference yield: 63.0%

→ tert-butyl 4-(3-bromophenyl)-4-cyanopiperidine-1-carboxylate (849928-28-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 60 ℃; for 16h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 4-(3-bromophenyl)-4-cyanopiperidine-1-carboxylate (849928-28-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / dichloromethane / 0.17 h / 0 °C

2: sodium hydride / N,N-dimethyl-formamide; mineral oil / 17 h / 0 - 60 °C

With sodium hydride; sodium hydroxide; In dichloromethane; N,N-dimethyl-formamide; mineral oil;

DOI:10.1016/j.ejmech.2017.06.067

upstream raw materials:

(3-bromophenyl)acetonitrile

N-(tert-butyloxycarbonyl)bis(2-chloroethyl)amine

di-tert-butyl dicarbonate

Downstream raw materials:

tert-butyl 4-amino-4-phenylpiperidine-1-carboxylate

C₁₉H₂₆N₂O₂

Refernces

• 1、 -. "3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF". Paragraph 00416-00418. . Retrieved 2017/10/06.