2-(4-Methoxyphenyl)-1,3-dithiane

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-1,3-dithiane
• CAS No.: 24588-72-5
• Molecular Formula: C11H14 O S2
• Molecular Weight: 226.364
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50179331
• Nikkaji Number: J104.667E
• Wikidata: Q83049852
• Mol file: 24588-72-5.mol

Synonyms:2-(4-Methoxyphenyl)-1,3-dithiane;24588-72-5;2-(p-Methoxyphenyl)-m-dithiane;1,3-Dithiane, 2-(4-methoxyphenyl)-;m-DITHIANE, 2-(p-METHOXYPHENYL)-;BRN 1243150;4-Methoxybenzaldehyde trimethylenedithioacetal;5-19-02-00560 (Beilstein Handbook Reference);SCHEMBL1344540;2-p-Methoxyphenyl-1,3-dithiane;DTXSID50179331;4-(1,3-Dithiane-2-yl)anisole;MFCD01729781;2-(4-Methoxyphenyl)-1,3-dithiane #;LS-63122;M3278

Chemical Property of 2-(4-Methoxyphenyl)-1,3-dithiane

Chemical Property:

• Vapor Pressure: 3.05E-05mmHg at 25°C
• Melting Point: 121 °C
• Boiling Point: 366.6°Cat760mmHg
• Flash Point: 175.5°C
• PSA: 59.83000
• Density: 1.169g/cm³
• LogP: 3.56390
• Solubility.: soluble in Acetone
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.04860741
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Methoxyphenyl)-1,3-dithiane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2SCCCS2

Technology Process of 2-(4-Methoxyphenyl)-1,3-dithiane

There total 23 articles about 2-(4-Methoxyphenyl)-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: 100.0%

1.3-propanedithiol (109-80-8) + 4-methoxy-benzaldehyde (123-11-5) → 2-(4-methoxyphenyl)-1,3-dithiane (24588-72-5)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/chem.202102749

Reference yield: 97.0%

4-methoxy-benzaldehyde (123-11-5) + 3‐(1,3-dithiane-2-yl)pentane-2,4-dione (55727-23-6) → 2-(4-methoxyphenyl)-1,3-dithiane (24588-72-5)

Guidance literature:

With hydrogenchloride; at 60 ℃; for 0.25h;

DOI:10.1055/s-2006-950298

Reference yield: 96.0%

1.3-propanedithiol (109-80-8) + 3,9-di(4-methoxyphenyl)-2,4,8,10-tetraoxaspiro<5,5>undecane (1130782-84-1,1130782-85-2) → 2-(4-methoxyphenyl)-1,3-dithiane (24588-72-5)

Guidance literature:

With iodine; In chloroform; at 20 ℃; for 0.25h;

DOI:10.1021/jo015798z

upstream raw materials:

1.3-propanedithiol

4-methoxy-benzaldehyde

Cyclohepta-1,3,5-triene

4-methoxybenzoic acid

Downstream raw materials:

[2-(4-Methoxy-phenyl)-[1,3]dithian-2-yl]-phenyl-methanone oxime

2-(4-Methoxyphenyl)-2-(trimethylsilyl)-1,3-dithiane

8-Methoxy-1-<2-(4'-methoxyphenyl)-1,3-dithiane-2-yl>-isoquinoline

4-methoxy-benzaldehyde

Refernces

• 1、 Du, Yunfei,Ouyang, Yaxin,Wang, Xi,Wang, Xiaofan,Yu, Zhenyang,Zhao, Bingyue,Zhao, Kang. "PhIO-Mediated oxidative dethioacetalization/dethioketalization under water-free conditions". . p. 48 - 65. Retrieved 2021/06/16.
• 2、 Li, Ling,Zhang, Shiqi,Deng, Xiongfei,Li, Guangxun,Tang, Zhuo,Zhao, Gang. "Preparation and Application of α-Imino Ketones through One-Pot Tandem Reactions Based on Heyns Rearrangement". supporting information. p. 6819 - 6824. Retrieved 2021/09/08.