3-Chloropropyl phenyl sulfide

Base Information

• Chemical Name: 3-Chloropropyl phenyl sulfide
• CAS No.: 4911-65-3
• Molecular Formula: C9H11ClS
• Molecular Weight: 186.705
• Hs Code.: 2930909090
• NSC Number: 110816
• DSSTox Substance ID: DTXSID40296687
• Nikkaji Number: J586.515H
• Wikidata: Q82037394
• Mol file: 4911-65-3.mol

Synonyms:3-Chloropropyl phenyl sulfide;4911-65-3;3-chloropropylsulfanylbenzene;[(3-Chloropropyl)sulfanyl]benzene;NSC110816;3-phenylthiopropylchloride;3-phenylthiopropyl chloride;1-Chloro-3-phenylthiopropane;3-phenylthio-1-chloropropane;SCHEMBL955977;1-chloro-3-phenylthio propane;[(3-Chloropropyl)thio]benzene;3-Phenylthio-1-chloro-propane;1-chloro-3-(phenylthio)propane;(3-Chloropropyl)(phenyl)sulfane;1-chloro-3-(phenylthio) propane;DTXSID40296687;(3-chloro-propylsulfanyl)-benzene;Benzene, [(3-chloropropyl)thio]-;[(3-Chloropropyl)sulfanyl]benzene #;MFCD00040122;AKOS000143557;NSC-110816;AS-59999;FT-0635477

Chemical Property of 3-Chloropropyl phenyl sulfide

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.0113mmHg at 25°C
• Refractive Index: 1.561
• Boiling Point: 270.5 °C at 760 mmHg
• Flash Point: 114.8 °C
• PSA: 25.30000
• Density: 1.13 g/cm³
• LogP: 3.40760
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 186.0269992
• Heavy Atom Count: 11
• Complexity: 89.6

Purity/Quality:

99% ^*data from raw suppliers

3-CHLOROPROPYL PHENYL SULFIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 23/24/25-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCCCCl

Technology Process of 3-Chloropropyl phenyl sulfide

There total 19 articles about 3-Chloropropyl phenyl sulfide 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: 100.0%

thiophenol (108-98-5) + 1.3-chlorobromopropane (109-70-6) → 3-chloropropyl phenyl sulfide (4911-65-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 25 ℃; for 12h;

Reference yield: 96.0%

1.3-chlorobromopropane (109-70-6) + diphenyldisulfane (882-33-7) → 3-chloropropyl phenyl sulfide (4911-65-3)

Guidance literature:

With borohydride exchange resin; In methanol; for 6h; Ambient temperature;

DOI:10.1021/jo00091a047

Reference yield: 83.0%

3-phenylthiopropanol (24536-40-1) → 3-chloropropyl phenyl sulfide (4911-65-3)

Guidance literature:

With thionyl chloride; In pyridine; at 110 ℃; for 10h;

DOI:10.1248/cpb.47.1269

upstream raw materials:

3-phenylthiopropanol

thiophenol

1.3-chlorobromopropane

3-chloroprop-1-ene

Downstream raw materials:

4-phenyl-1-(3-phenylsulfanyl-propyl)-piperidine-4-carboxylic acid ethyl ester

S-3-(phenylthio)propyl-N,N-di-n-propylthiolcarbamate

4-[Bis-(4-fluoro-phenyl)-methyl]-1-(3-phenylsulfanyl-propyl)-piperidine

(3,5-dimethoxy-phenyl)-(3-phenylsulfanyl-propyl)-amine

Refernces

• 1、 Horn, Alissa,Dussault, Patrick H.. "Synthesis of α-Cyano and α-Sulfonyl Cyclic Ethers via Intramolecular Reactions of Peroxides with Sulfone- And Nitrile-Stabilized Carbanions". . p. 14611 - 14626. Retrieved 2019/11/13.
• 2、 -. "NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES". Paragraph 160. . Retrieved 2017/03/21.