2-(2-Bromophenyl)-1,3-dithiane

Base Information

• Chemical Name: 2-(2-Bromophenyl)-1,3-dithiane
• CAS No.: 130614-23-2
• Molecular Formula: C10H11BrS2
• Molecular Weight: 275.233
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70571398
• Nikkaji Number: J1.529.860J
• Wikidata: Q82459476
• Mol file: 130614-23-2.mol

Synonyms:2-(2-bromophenyl)-1,3-dithiane;130614-23-2;1,3-Dithiane, 2-(2-bromophenyl)-;DTXSID70571398;AKOS015907882

Chemical Property of 2-(2-Bromophenyl)-1,3-dithiane

Chemical Property:

• PSA: 50.60000
• LogP: 4.31780
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 273.94856
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Bromophenyl)-1,3-dithiane >99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(SC1)C2=CC=CC=C2Br

Technology Process of 2-(2-Bromophenyl)-1,3-dithiane

There total 3 articles about 2-(2-Bromophenyl)-1,3-dithiane 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: 97.0%

→ C6H4(2-Br)(CHSCH2CH2CH2S-cyclic) (130614-23-2)

Guidance literature:

at 60 ℃;

Reference yield: 94.0%

1.3-propanedithiol (109-80-8) + ortho-bromobenzaldehyde (6630-33-7) → C6H4(2-Br)(CHSCH2CH2CH2S-cyclic) (130614-23-2)

Guidance literature:

With BF*Et₂O; In dichloromethane; at 20 ℃; for 23h;

DOI:10.1021/ol027306q

Reference yield: 92.0%

2-chloro-1,3-dithiane (57529-04-1) + ortho-bromobenzaldehyde (6630-33-7) → C6H4(2-Br)(CHSCH2CH2CH2S-cyclic) (130614-23-2)

Guidance literature:

With iron(III) chloride; In 1,2-dichloro-ethane; at 50 ℃; for 24h;

DOI:10.1021/ol502276r

upstream raw materials:

1.3-propanedithiol

ortho-bromobenzaldehyde

2-chloro-1,3-dithiane

Downstream raw materials:

ortho-bromobenzaldehyde

2-(2-(4-methoxybenzyl)phenyl)-1,3-dithiane

Refernces

• 1、 Samajdar, Susanta,Basu, Manas K.,Becker, Frederick F.,Banik, Bimal K.. "A new molecular iodine-catalyzed thioketalization of carbonyl compounds: Selectivity and scope". . p. 4425 - 4427. Retrieved 2001.
• 2、 Liu, Caiyan,Shen, Yongli,Xiao, Zihui,Yang, Hui,Han, Xue,Yuan, Kedong,Ding, Yi. "Direct anodic (thio)acetalization of aldehydes with alcohols (thiols) under neutral conditions, and computational insight into the electrochemical formation of the acetals". . p. 4030 - 4034. Retrieved 2019/08/07.
• 3、 Xing, Zhimin,Yang, Mingyang,Sun, Haiyu,Wang, Zemin,Chen, Peng,Liu, Lin,Wang, Xiaolei,Xie, Xingang,She, Xuegong. "Visible-light promoted dithioacetalization of aldehydes with thiols under aerobic and photocatalyst-free conditions". supporting information. p. 5117 - 5122. Retrieved 2018/11/24.