PHENYL N-PROPYL SULPHIDE

Base Information

• Chemical Name: PHENYL N-PROPYL SULPHIDE
• CAS No.: 874-79-3
• Molecular Formula: C9H12 S
• Molecular Weight: 152.26
• NSC Number: 115079
• UNII: D272CA2KWS
• DSSTox Substance ID: DTXSID60236328
• Nikkaji Number: J100.045D
• Wikidata: Q83118287
• Mol file: 874-79-3.mol

Synonyms:Sulfide,phenyl propyl (6CI,7CI,8CI); (Propylthio)benzene; NSC 115079; Phenyl n-propylsulfide; Phenyl propyl sulfide; Phenyl propyl thioether; Propyl phenyl sulfide;Propyl phenyl thioether

Chemical Property of PHENYL N-PROPYL SULPHIDE

Chemical Property:

• Vapor Pressure: 0.15mmHg at 25°C
• Melting Point: -45°C
• Refractive Index: 1.5551
• Boiling Point: 222.6°C at 760 mmHg
• Flash Point: 87.2°C
• PSA: 25.30000
• Density: 0.99g/cm³
• LogP: 3.18870
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 152.06597156
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

98%min ^*data from raw suppliers

Phenyln-propylsulfide 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/22:Harmful by inhalation and if swallowed.
• Hazard Codes: R20/22:Harmful by inhalation and if swallowed.
• Statements: R20/22:Harmful by inhalation and if swallowed.
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC1=CC=CC=C1

Technology Process of PHENYL N-PROPYL SULPHIDE

There total 59 articles about PHENYL N-PROPYL SULPHIDE 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%

allyl phenyl thioether (5296-64-0) → phenyl(propyl)sulfide (874-79-3)

Guidance literature:

With air; hydrazine hydrate; In ethanol; at 25 ℃; for 4h;

DOI:10.1021/jo801588d

Reference yield: 97.0%

allyl phenyl thioether (5296-64-0) + 2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole (241147-96-6) → para-tert-butylphenol (98-54-4) + phenyl(propyl)sulfide (874-79-3)

Guidance literature:

With oxygen; hydrazine hydrate; In acetonitrile; at 32 ℃; for 3h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/ejoc.201501222

Reference yield: 94.0%

1-phenylthio-1-nitropropane (112921-74-1) → phenyl(propyl)sulfide (874-79-3)

Guidance literature:

With triethylsilane; tin(IV) chloride; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)96100-8

upstream raw materials:

potassium thiophenolate

propyl bromide

1-iodo-propane

thiophenol

Downstream raw materials:

(S-propyl)-2-thiosalicylic acid

benzoic acid

2-isopropylbenzenethiol

1-methylpropyl phenyl sulfide

Refernces

• 1、 Acosta-Guzmán, Paola,Mahecha-Mahecha, Camilo,Gamba-Sánchez, Diego. "Electrophilic Chlorine from Chlorosulfonium Salts: A Highly Chemoselective Reduction of Sulfoxides". supporting information. p. 10348 - 10354. Retrieved 2020/07/13.
• 2、 -. "Palladium complex containing meta-position carborane triazole ligand and preparation method and application of palladium complex". Paragraph 0041-0043. . Retrieved 2020/08/07.