2,11-Dithia[3.3]paracyclophane

Base Information

• Chemical Name: 2,11-Dithia[3.3]paracyclophane
• CAS No.: 28667-63-2
• Molecular Formula: C16H16 S2
• Molecular Weight: 272.435
• DSSTox Substance ID: DTXSID10481841
• Nikkaji Number: J382.986C
• Wikidata: Q82317495
• Mol file: 28667-63-2.mol

Synonyms:2,11-Dithia[3.3]paracyclophane;28667-63-2;3,10-Dithiatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene;3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene;SCHEMBL12386701;DTXSID10481841;MFCD00191410;3,10-Dithiatricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene;N-(2-Amino-4-chlorophenyl)anthranilicacid;D2210;T70719;3, 10-dithiatricyclo[10.2.2.25, 8]octadeca-1(15), 5, 7, 12(16), 13, 17-hexaene;3,10-dithiatricyclo[10.2.2.2?,?]octadeca-1(14),5,7,12,15,17-hexaene

Chemical Property of 2,11-Dithia[3.3]paracyclophane

Chemical Property:

• Vapor Pressure: 9.26E-09mmHg at 25°C
• Melting Point: 222 °C
• Boiling Point: 475.8°C at 760 mmHg
• Flash Point: 255.8°C
• PSA: 50.60000
• Density: 1.154g/cm³
• LogP: 4.86680
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 272.06934286
• Heavy Atom Count: 18
• Complexity: 188

Purity/Quality:

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

2,11-Dithia[3.3]paracyclophane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=C(CSCC3=CC=C(CS1)C=C3)C=C2

Technology Process of 2,11-Dithia[3.3]paracyclophane

There total 4 articles about 2,11-Dithia[3.3]paracyclophane 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: 73.0%

1,4-bis(bromomethyl)benzene (623-24-5) + 1,4-bis(mercaptomethyl)benzene (105-09-9) → 2,11-dithia[3.3]paracyclophane (28667-63-2)

Guidance literature:

With potassium hydroxide; In ethanol; water; benzene; for 46h;

Reference yield: 49.0%

1,4-bis(bromomethyl)benzene (623-24-5) → 2,11-dithia[3.3]paracyclophane (28667-63-2)

Guidance literature:

With sodium sulfide supported on coal fly ash; In ethanol; dichloromethane; at 20 ℃; for 18h;

DOI:10.1139/cjc-2020-0041

Reference yield: 22.0%

1,4-bis(mercaptomethyl)benzene (105-09-9) + p-Xylylene dichloride (623-25-6) → 2,11-dithia[3.3]paracyclophane (28667-63-2)

Guidance literature:

With sodium ethanolate; In ethanol; for 3h; Heating;

DOI:10.1246/bcsj.58.2502

upstream raw materials:

1,4-bis(mercaptomethyl)benzene

p-Xylylene dichloride

1,4-bis(bromomethyl)benzene

Downstream raw materials:

[2.2]Paracyclophan