CID 12777679

Base Information

• Chemical Name: CID 12777679
• CAS No.: 628-13-7
• Molecular Formula: C5H6ClN
• Molecular Weight: 115.562
• Hs Code.: 29333100
• Mol file: 628-13-7.mol

Synonyms:SCHEMBL4858716

Chemical Property of CID 12777679

Chemical Property:

• Appearance/Colour: white to tan crystals
• Vapor Pressure: 22.8mmHg at 25°C
• Melting Point: 145-147 °C(lit.)
• Refractive Index: 1.5304 (estimate)
• Boiling Point: 115.3 °C at 760 mmHg
• Flash Point: 20 °C
• PSA: 12.89000
• Density: 1.34 g/cm3
• LogP: 1.88360
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: ethanol: soluble50mg/mL, clear, colorless to light yellow
• Water Solubility.: 85 g/100 mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 115.0188769
• Heavy Atom Count: 7
• Complexity: 35.1

Purity/Quality:

99% ^*data from raw suppliers

Pyridine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=[NH+]C=C1.[Cl-]
• Uses: Pyridine Hydrochloride is the hydrochloride salt of pyridine, a basic six-membered heterocyclic ring. Pyridine is a base structure present in many biologically active compounds like the vitamins niaci n and pyridoxal. Pyridine is used in dehalogenation reactions and can be used as a base in condensation reactions. Pyridine Hydrochloride is the hydrochloride salt of pyridine, a basic six-membered heterocyclic ring. Pyridine is a base structure present in many biologically active compounds like the vitamins niacin and pyridoxal. Pyridine is used in dehalogenation reactions and can be used as a base in condensation reactions.

Technology Process of CID 12777679

There total 135 articles about CID 12777679 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: 96.3%

z,z,z-octadeca-6,9,12-trienoyl chloride (54562-14-0) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → pyridine hydrochloride (628-13-7) + tri-γ-linolenin (14465-68-0)

Guidance literature:

With pyridine; dmap; In dichloromethane; at 20 - 35 ℃;

Reference yield: 96.0%

pyridine (110-86-1) → pyridine hydrochloride (628-13-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; Schlenk technique;

DOI:10.1002/anie.202101997

Reference yield: 95.0%

pyridine (110-86-1) → pyridine hydrochloride (628-13-7) + N-sulfonic acid pyridinium chloride

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1016/j.molliq.2013.05.009

upstream raw materials:

pyridine

diethyl ether

(S)-2-Octanol

hydrogen cyanide

Downstream raw materials:

1-(2-hydroxyethyl)pyridinium chloride

1,4-dichlorobutane

Sudan I

2-chloro-1-(2-nitro-phenyl)-ethanol

Refernces

Facile syntheses of 4-(2-cyanoethylthio)-1,3-dithiole-2-thione and new electron donors with two TTF units and compounds with bis(1,3-dithiole-2-thione) groups

10.1055/s-2002-34837

The research presents a facile and efficient approach to synthesize 4-(2-cyanoethylthio)-1,3-dithiole-2-thione (1), a key compound for the preparation of tetrathiafulvalene (TTF) derivatives, from TBA2[Zn(dmit)2]. The study explores the synthetic conditions for preparing compound 1 and uses it to synthesize new electron donors with two TTF units. The chemicals used in the process include TBA2[Zn(dmit)2], 3-bromopropionitrile, pyridine hydrochloride, Hg(OAc)2, and various electrophilic reagents such as 1,2-dibromoethane and 1,3-dibromopropane. The research concludes that compound 1 can be synthesized with high efficiency using four equivalents of an organic ammonium salt, yielding new electron donors with two TTF units, which are significant for the study of organic conductors and molecular spin-ladder systems.

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