5-(Piperidin-1-ylmethyl)thiophene-2-carbaldehyde

Base Information

• Chemical Name: 5-(Piperidin-1-ylmethyl)thiophene-2-carbaldehyde
• CAS No.: 7136-41-6
• Molecular Formula: C₁₁H₁₅NOS
• Molecular Weight: 209.312
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20602363
• Wikidata: Q82499381
• Mol file: 7136-41-6.mol

Synonyms:5-(PIPERIDIN-1-YLMETHYL)THIOPHENE-2-CARBALDEHYDE;7136-41-6;5-(1-piperidinylmethyl)-2-thiophenecarbaldehyde;DTXSID20602363;MFCD06803314;AKOS003657442;BS-36380;DB-185430;CS-0455152;5-(piperidinomethyl)-2-thiophenecarboxaldehyde;5-[(Piperidin-1-yl)methyl]thiophene-2-carbaldehyde

Chemical Property of 5-(Piperidin-1-ylmethyl)thiophene-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 320.831°C at 760 mmHg
• Flash Point: 147.833°C
• PSA: 48.55000
• Density: 1.183g/cm³
• LogP: 2.48440
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 209.08743528
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

5-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC2=CC=C(S2)C=O

Technology Process of 5-(Piperidin-1-ylmethyl)thiophene-2-carbaldehyde

There total 3 articles about 5-(Piperidin-1-ylmethyl)thiophene-2-carbaldehyde 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: 78.0%

potassium (piperidin-1-yl)methyltrifluoroborate + 5-Chloro-2-thiophenecarboxaldehyde (7283-96-7) → 5-(piperidin-1-ylmethyl)-2-thiophenecarboxaldehyde (7136-41-6)

Guidance literature:

With caesium carbonate; palladium diacetate; XPhos; In tetrahydrofuran; water; at 80 ℃; for 24h;

DOI:10.1021/jo800183q

Reference yield: 70.0%

5-Chloro-2-thiophenecarboxaldehyde (7283-96-7) + N-(trifluoroboratomethyl)piperidine internal salt (1268340-93-7) → 5-(piperidin-1-ylmethyl)-2-thiophenecarboxaldehyde (7136-41-6)

Guidance literature:

With palladium diacetate; caesium carbonate; XPhos; In tetrahydrofuran; water; at 80 ℃; for 45h;

DOI:10.1021/jo2001066

Reference yield:

piperidine (110-89-4) → 5-(piperidin-1-ylmethyl)-2-thiophenecarboxaldehyde (7136-41-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran; tert-butyl alcohol / 2 h / 80 °C / Inert atmosphere

2: palladium diacetate; caesium carbonate; XPhos / tetrahydrofuran; water / 45 h / 80 °C

With palladium diacetate; caesium carbonate; XPhos; In tetrahydrofuran; water; tert-butyl alcohol; 2: Suzuki-Miyaura coupling;

DOI:10.1021/jo2001066

upstream raw materials:

5-Chloro-2-thiophenecarboxaldehyde

piperidine

N-(trifluoroboratomethyl)piperidine internal salt

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