2,2-Dichlorocyclopropyl Phenyl Sulfide

Base Information

• Chemical Name: 2,2-Dichlorocyclopropyl Phenyl Sulfide
• CAS No.: 63289-85-0
• Molecular Formula: C9H8Cl2S
• Molecular Weight: 219.135
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80369783
• Nikkaji Number: J2.639.147D
• Mol file: 63289-85-0.mol

Synonyms:2,2-Dichlorocyclopropyl Phenyl Sulfide;63289-85-0;(2,2-dichlorocyclopropyl)sulfanylbenzene;[(2,2-dichlorocyclopropyl)sulfanyl]benzene;(2,2-dichlorocyclopropyl)(phenyl)sulfane;[(1S)-2,2-dichlorocyclopropyl]sulfanylbenzene;DTXSID80369783;MFCD00800592;2,2-Dichlorocyclopropylphenyl sulfide;AKOS015840657;CS-0357120;D2660;FT-0640881;T71160

Chemical Property of 2,2-Dichlorocyclopropyl Phenyl Sulfide

Chemical Property:

• Appearance/Colour: Clear yellow to brown liquid after melting
• Vapor Pressure: 0.000703mmHg at 25°C
• Melting Point: 28 °C
• Refractive Index: 1.589-1.591
• Boiling Point: 317.7 °C at 760 mmHg
• Flash Point: 139.2 °C
• PSA: 25.30000
• Density: 1.37 g/cm³
• LogP: 3.72490
• Storage Temp.: 0-6°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 217.9723768
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2-Dichlorocyclopropyl Phenyl Sulfide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C1(Cl)Cl)SC2=CC=CC=C2

Technology Process of 2,2-Dichlorocyclopropyl Phenyl Sulfide

There total 2 articles about 2,2-Dichlorocyclopropyl 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: 39.0%

chloroform (67-66-3,8013-54-5) + phenylthioethylene (1822-73-7) → (2,2-dichlorocyclopropyl)phenylsulfane (63289-85-0)

Guidance literature:

With potassium tert-butylate; In hexane; for 1h;

DOI:10.1007/BF00958819

Reference yield:

→ (2,2-dichlorocyclopropyl)phenylsulfane (63289-85-0)

Guidance literature:

Dichlorcarben, Vinylphenylsulfid;

Reference yield: 85.0%

(2,2-dichlorocyclopropyl)phenylsulfane (63289-85-0) → 1,1-Dichloro-2-(phenylsulfinyl)cyclopropane (90348-57-5)

Guidance literature:

With lithium perchlorate trihydrate; water; oxygen; In N,N-dimethyl-formamide; at 20 ℃; under 750.075 Torr; chemoselective reaction; Electrochemical reaction;

DOI:10.1002/ejoc.202100610

upstream raw materials:

chloroform

phenylthioethylene

Downstream raw materials:

1,1-Dichloro-2-(phenylsulfonyl)cyclopropane

1,1-Dichloro-2-(phenylsulfinyl)cyclopropane

Refernces

• 1、 Song, Qing-Wen,Yu, Bing,Liu, An-Hua,He, Ying,Yang, Zhen-Zhen,Diao, Zhen-Feng,Song, Qing-Chuan,Li, Xue-Dong,He, Liang-Nian. "PEG400-enhanced synthesis of gem-dichloroaziridines and gem-dichlorocyclopropanes via in situ generated dichlorocarbene". . p. 19009 - 19014. Retrieved 2013/10/22.