6-(1-Pyrrolidinyl)nicotinaldehyde

Base Information

• Chemical Name: 6-(1-Pyrrolidinyl)nicotinaldehyde
• CAS No.: 261715-39-3
• Molecular Formula: C10H12N2O
• Molecular Weight: 176.21
• Hs Code.: 29333990
• European Community (EC) Number: 681-770-0
• DSSTox Substance ID: DTXSID00383401
• Wikidata: Q72505253
• Mol file: 261715-39-3.mol

Synonyms:6-(1-PYRROLIDINYL)NICOTINALDEHYDE;261715-39-3;6-(pyrrolidin-1-yl)nicotinaldehyde;6-pyrrolidin-1-ylpyridine-3-carbaldehyde;6-(Pyrrolidin-1-yl)pyridine-3-carboxaldehyde;6-(pyrrolidin-1-yl)pyridine-3-carbaldehyde;6-PYRROLIDIN-1-YLNICOTINALDEHYDE;3-Pyridinecarboxaldehyde, 6-(1-pyrrolidinyl)-;MFCD06200881;6-(1-PYRROLIDINYL)PYRIDINE-3-CARBOXALDEHYDE;6-(1-Pyrrolidino)pyridine-3-carboxaldehyde;3-Pyridinecarboxaldehyde,6-(1-pyrrolidinyl)-;SCHEMBL1735017;DTXSID00383401;FFFAXGTZBUMKTI-UHFFFAOYSA-N;BCP23119;BBL100230;STL553801;AKOS006228615;AB23069;AS-40775;A5189;AM20051008;CS-0195663;FT-0686919;6-(pyrrolidin-1-yl)-3-pyridinecarboxaldehyde;EN300-106314;Q-103401;Z1201623264

Chemical Property of 6-(1-Pyrrolidinyl)nicotinaldehyde

Chemical Property:

• Vapor Pressure: 2.6E-05mmHg at 25°C
• Melting Point: 89 °C
• Refractive Index: 1.605
• Boiling Point: 358.146 °C at 760 mmHg
• PKA: 5.26±0.29(Predicted)
• Flash Point: 170.401 °C
• PSA: 33.20000
• Density: 1.184 g/cm³
• LogP: 1.55930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

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

6-(Pyrrolidin-1-yl)nicotinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=NC=C(C=C2)C=O
• Uses: 6-(Pyrrolidin-1-yl)nicotinaldehyde is a useful reagent in the preparation of benzimidazole derivatives as inhibitors for abnormal proliferation of prostatic interstitial cells in the treatment of prostatic hypertrophy.

Technology Process of 6-(1-Pyrrolidinyl)nicotinaldehyde

There total 1 articles about 6-(1-Pyrrolidinyl)nicotinaldehyde 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: 74.0%

pyrrolidine (123-75-1) + 6-chloronicotinylaldehyde (23100-12-1) → 6-(pyrrolidin-1-yl)nicotinaldehyde (261715-39-3)

Guidance literature:

With potassium dihydrogenphosphate; In 1,4-dioxane; at 95 ℃;

Reference yield: 79.0%

6-(pyrrolidin-1-yl)nicotinaldehyde (261715-39-3) + (S)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3 -yl)oxy)quinazolin-6-yl)hydrazine carboxamide → (S,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-2-((6-(pyrrolidin-1-yl)pyridin-3-yl)methylene)hydrazine-1-carboxamide

Guidance literature:

In ethanol; N,N-dimethyl-formamide; Reflux; Acidic conditions;

DOI:10.1080/14756366.2018.1518957

Reference yield: 77.0%

6-(pyrrolidin-1-yl)nicotinaldehyde (261715-39-3) + N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxy quinazolin-6-yl)hydrazine carboxamide → (E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)-2-((6-(pyrrolidin-1-yl)pyridin-3-yl)methylene)hydrazine-1-carboxamide

Guidance literature:

In ethanol; N,N-dimethyl-formamide; Reflux; Acidic conditions;

DOI:10.1080/14756366.2018.1518957

upstream raw materials:

pyrrolidine

6-chloronicotinylaldehyde

Refernces

• 1、 -. "COMPOUNDS AS MODULATORS OF TLR2 SIGNALING". Paragraph 0349-0350. . Retrieved 2019/10/23.