[1,4'-Bipiperidine]-1'-carbonyl chloride

Base Information

• Chemical Name: [1,4'-Bipiperidine]-1'-carbonyl chloride
• CAS No.: 103816-19-9
• Molecular Formula: C11H19 Cl N2 O
• Molecular Weight: 230.738
• Hs Code.: 2933399090
• European Community (EC) Number: 682-939-1
• DSSTox Substance ID: DTXSID80431070
• Nikkaji Number: J1.647.438J
• Wikidata: Q72443897
• Mol file: 103816-19-9.mol

Synonyms:103816-19-9;[1,4'-Bipiperidine]-1'-carbonyl chloride;1-Chlorocarbonyl-4-piperidinopiperidine;4-Piperidinopiperidine-1-carbonyl chloride;[1,4']Bipiperidinyl-1'-carbonyl chloride;4-piperidin-1-ylpiperidine-1-carbonyl chloride;1,4'-BIPIPERIDINYL-1'-CARBONYL CHLORIDE;[1,4'-Bipiperidine]-1'-carbonylchloride;SCHEMBL1401624;DTXSID80431070;YDNSNQRKIINKPV-UHFFFAOYSA-N;BCP30087;4-piperidinopiperidinecarbonyl chloride;4-piperidinopiperidinocarbonyl chloride;AKOS016009862;DS-6254;SB43290;1,4'-bipiperidine-1'-carbonyl chloride;AC-23882;FT-0696527;1,4'-Bipiperidine-1'-carboxylic acid chloride;F81258;4-(piperidin-1-yl)piperidine-1-carbonyl chloride;A855275

Chemical Property of [1,4'-Bipiperidine]-1'-carbonyl chloride

Chemical Property:

• Melting Point: 60-64°C
• Boiling Point: 344.5±31.0 °C(Predicted)
• PKA: 9.19±0.20(Predicted)
• PSA: 23.55000
• Density: 1.184±0.06 g/cm3(Predicted)
• LogP: 2.17130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.1185909
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Piperidinopiperidine-1-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2CCN(CC2)C(=O)Cl
• Uses: Reactant for synthesis of:Macrocyclic ureas as selective Chk1 inhibitorsEtoposide prodrug for dual prodrug-enzyme antitumor therapyPhosphodiesterase 4 inhibitorsCamptothecin analogs

Technology Process of [1,4'-Bipiperidine]-1'-carbonyl chloride

There total 4 articles about [1,4'-Bipiperidine]-1'-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: 99.0%

4-piperidinopiperidin (4897-50-1) + bis(trichloromethyl) carbonate (32315-10-9) → 4-piperidinopiperidine-1-carbonyl chloride (103816-19-9)

Guidance literature:

With triethylamine; In dichloromethane; at -10 - 20 ℃; for 4h;

Reference yield:

4-piperidinopiperidine-1-carbonyl chloride hydrochloride (143254-82-4) → 4-piperidinopiperidine-1-carbonyl chloride (103816-19-9)

Guidance literature:

With potassium carbonate; In dichloromethane; for 1h;

Reference yield:

4-piperidinopiperidin (4897-50-1) + trichloromethyl chloroformate (503-38-8) → 4-piperidinopiperidine-1-carbonyl chloride (103816-19-9)

Guidance literature:

In benzene;

DOI:10.1248/cpb.39.1446

upstream raw materials:

4-piperidinopiperidin

trichloromethyl chloroformate

4-piperidinopiperidine-1-carbonyl chloride hydrochloride

bis(trichloromethyl) carbonate

Downstream raw materials:

irinotecan hydrochloride trihydrate

10-[4-(1-piperidino)-1-piperidino]carbonyloxycamptothecin

Refernces

• 1、 -. "Dopamine D5 receptor agonists as well as preparation and application thereof". Paragraph 0104-0106; 0112-0113. . Retrieved 2019/08/06.
• 2、 -. "PODOPHYLLOTOXIN DERIVATIVES AND THEIR USE". Paragraph 0116. . Retrieved 2017/05/15.