2-[(2-Pyridin-4-ylethyl)thio]ethanol

Base Information

• Chemical Name: 2-[(2-Pyridin-4-ylethyl)thio]ethanol
• CAS No.: 78092-91-8
• Molecular Formula: C9H13 N O S
• Molecular Weight: 183.274
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40366112
• Wikidata: Q82151206
• Mol file: 78092-91-8.mol

Synonyms:78092-91-8;2-[(2-pyridin-4-ylethyl)thio]ethanol;2-(2-pyridin-4-ylethylsulfanyl)ethanol;2-((2-(Pyridin-4-yl)ethyl)thio)ethanol;CHEMBRDG-BB 5104065;2-{[2-(Pyridin-4-yl)ethyl]sulfanyl}ethan-1-ol;2-[(2-(PYRIDIN-4-YL)ETHYL)THIO]ETHANOL;2-{[2-(pyridin-4-yl)ethyl]sulfanyl}ethanol;Cambridge id 5104065;CBDivE_000489;SCHEMBL10996347;DTXSID40366112;RVSLGHONXIRODY-UHFFFAOYSA-N;HMS1577G19;MFCD00456425;STK504853;AKOS001600615;CCG-104671;SB53990;2-{[2-(4-Pyridinyl)ethyl]thio}ethanol;4-[2-(2-hydroxyethylthio)ethyl]pyridine;LS-02892;FT-0679360

Chemical Property of 2-[(2-Pyridin-4-ylethyl)thio]ethanol

Chemical Property:

• Vapor Pressure: 8.95E-06mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 358.9°C at 760 mmHg
• PKA: 14.47±0.10(Predicted)
• Flash Point: 170.8°C
• PSA: 58.42000
• Density: 1.145g/cm³
• LogP: 1.34960
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 183.07178521
• Heavy Atom Count: 12
• Complexity: 105

Purity/Quality:

98%min ^*data from raw suppliers

2-[(2-pyridin-4-ylethyl)thio]ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1CCSCCO

Technology Process of 2-[(2-Pyridin-4-ylethyl)thio]ethanol

There total 2 articles about 2-[(2-Pyridin-4-ylethyl)thio]ethanol 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: 85.0%

4-vinylpyridine (100-43-6,329041-72-7) + 2-hydroxyethanethiol (60-24-2) → 2-((2-(pyridin-4-yl)ethyl)thio)ethan-1-ol (78092-91-8)

Guidance literature:

With benzil; In tetrahydrofuran; for 6h; Irradiation; Inert atmosphere; Green chemistry;

DOI:10.1002/ejoc.202001275

Reference yield:

2-(pyridin-4-yl)ethanethiol (2127-05-1) + 2-bromoethanol (540-51-2) → 2-((2-(pyridin-4-yl)ethyl)thio)ethan-1-ol (78092-91-8)

Guidance literature:

upstream raw materials:

2-(pyridin-4-yl)ethanethiol

2-bromoethanol

4-vinylpyridine

2-hydroxyethanethiol

Refernces

• 1、 -. "SULFIDE-BASED COMPOUNDS AND USES THEREOF". Paragraph 0142. . Retrieved 2020/04/29.