2-(4-Bromophenyl)-1,3-oxathiolane

Base Information

• Chemical Name: 2-(4-Bromophenyl)-1,3-oxathiolane
• CAS No.: 77853-37-3
• Molecular Formula: C₉H₉BrOS
• Molecular Weight: 245.14
• DSSTox Substance ID: DTXSID80464787
• Nikkaji Number: J573.335I

Synonyms:2-(4-bromophenyl)-1,3-oxathiolane;77853-37-3;1,3-Oxathiolane, 2-(4-bromophenyl)-;SCHEMBL6835060;DTXSID80464787;A1-25789

Chemical Property of 2-(4-Bromophenyl)-1,3-oxathiolane

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 243.95575
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(O1)C2=CC=C(C=C2)Br

Technology Process of 2-(4-Bromophenyl)-1,3-oxathiolane

There total 2 articles about 2-(4-Bromophenyl)-1,3-oxathiolane 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: 98.0%

4-bromo-benzaldehyde (1122-91-4) + 2-hydroxyethanethiol (60-24-2) → 2-(4-bromophenyl)-1,3-oxathiolane (147441-51-8,147441-52-9,77853-37-3)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.1055/s-2003-42436

Reference yield:

4-bromo-benzaldehyde (1122-91-4) + 2-hydroxyethanethiol (60-24-2) → C11H15BrO2S2 (1462982-12-2) + 2-(4-bromophenyl)-1,3-oxathiolane (147441-51-8,147441-52-9,77853-37-3)

Guidance literature:

With nickel(II) chloride hexahydrate; In neat (no solvent); at 20 ℃; for 0.25h; Overall yield = 85 %;

DOI:10.1016/j.tetlet.2013.08.070

Reference yield: 97.0%

2-(4-bromophenyl)-1,3-oxathiolane (147441-51-8,147441-52-9,77853-37-3) + ethane-1,2-dithiol (540-63-6) → 2-(4-bromophenyl)-1,3-dithiolane (83521-65-7)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; In N,N-dimethyl-formamide; at 20 ℃; for 0.833333h;

DOI:10.1007/s00706-006-0559-0

upstream raw materials:

4-bromo-benzaldehyde

2-hydroxyethanethiol

Downstream raw materials:

4-bromo-benzaldehyde

2-(4-bromophenyl)-3-trifluoromethyl-1,4-oxathiinane-3-carboxylic acid methyl ester

2-(4-bromophenyl)-3-trifluoromethyl-1,4-oxathiinane-3-carboxylic acid methyl ester

2-(4-bromophenyl)-1,3-dithiolane

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