2-Methyl-1,3-dithiane

Base Information

• Chemical Name: 2-Methyl-1,3-dithiane
• CAS No.: 6007-26-7
• Molecular Formula: C5H10 S2
• Molecular Weight: 134.266
• Hs Code.: 2934999090
• European Community (EC) Number: 227-859-6
• NSC Number: 249337
• UNII: U6KUZ3F2ZW
• DSSTox Substance ID: DTXSID90208795
• Nikkaji Number: J145.076J
• Wikidata: Q72490361
• Mol file: 6007-26-7.mol

Synonyms:2-Methyl-1,3-dithiane;6007-26-7;1,3-Dithiane, 2-methyl-;m-DITHIANE, 2-METHYL-;2-Methyl-m-dithiane;Methyl-2 dithiane-1,3;Methyl-2 dithiane-1,3 [French];2-methyl-1,3-dithian;EINECS 227-859-6;2-methyl-[1,3]dithiane;NSC 249337;BRN 0102766;NSC-249337;5-19-01-00053 (Beilstein Handbook Reference);C5H10S2;NSC249337;CC1SCCCS1;U6KUZ3F2ZW;SCHEMBL10301;DTXSID90208795;2-Methyl-1,3-dithiane, 99%;AMY24701;MFCD00014652;AKOS005255381;AS-57590;LS-63123;Acetaldehyde, cyclic trimethylene mercaptal;A8408;CS-0094743;FT-0600755;D75611;EN300-7431371;J-509900

Chemical Property of 2-Methyl-1,3-dithiane

Chemical Property:

• Appearance/Colour: COLORLESS TO BROWN LIQUID
• Vapor Pressure: 0.428mmHg at 25°C
• Refractive Index: n20/D 1.560(lit.)
• Boiling Point: 201.8 °C at 760 mmHg
• Flash Point: 75 ºC
• PSA: 50.60000
• Density: 1.121
• LogP: 2.20250
• Water Solubility.: Not miscible or difficult to mix in water. Soluble in alcohol.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.02239267
• Heavy Atom Count: 7
• Complexity: 48

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-1,3-dithiane 99% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CC1SCCCS1
• Uses: It has been employed in the synthesis of methyl ketones. 2-Methyl-1,3-dithiane is suitable for use in the preparation of potassium trifluoro(2-methyl-1,3-dithiano)borate. 2-Methyl-1,3-dithiane is suitable for use in the preparation of potassium trifluoro(2-methyl-1,3-dithiano)borate.

Technology Process of 2-Methyl-1,3-dithiane

There total 8 articles about 2-Methyl-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) + acetaldehyde (75-07-0,9002-91-9) → 2-methyl-1,3-dithian (6007-26-7)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1002/ejoc.201000155

Reference yield: 87.0%

1,3 dithiane (505-23-7) + methyl iodide (74-88-4) → 2-methyl-1,3-dithian (6007-26-7)

Guidance literature:

With sodium amide; diethylene glycol monoethyl ether sodium salt; In 1,2-dimethoxyethane; at 0 ℃; for 0.2h;

DOI:10.1016/S0040-4020(96)00972-6

Reference yield: 64.0%

2-methyl-5,6-dihydro-4H-1,3-dithianylium tetrafluorborate → 2-methyl-1,3-dithian (6007-26-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 0.0333333h;

upstream raw materials:

1.3-propanedithiol

acetaldehyde

1,3 dithiane

methyl iodide

Downstream raw materials:

{3-[1-(3-Methylsulfanyl-propylsulfanyl)-ethoxy]-propyl}-benzene

Benzoic acid 3-[1-(3-methylsulfanyl-propylsulfanyl)-ethoxy]-propyl ester

2-Methoxy-4-methyl-1-{(E)-4-[1-(3-methylsulfanyl-propylsulfanyl)-ethoxy]-but-2-enyloxy}-benzene

3-hydroxy-4,4-dimethylpentan-2-one

Refernces

• 1、 -. "Stable isotope13 C mark of the pyruvic acid preparation method (by machine translation)". Paragraph 0032; 0033; 0034. . Retrieved 2019/01/16.
• 2、 Lin, Hong,Yamashita, Dennis S.,Zeng, Jin,Xie, Ren,Verma, Sharad,Luengo, Juan I.,Rhodes, Nelson,Zhang, Shuyun,Robell, Kimberly A.,Choudhry, Anthony E.,Lai, Zhihong,Kumar, Rakesh,Minthorn, Elisabeth A.,Brown, Kristin K.,Heerding, Dirk A.. "2,3,5-Trisubstituted pyridines as selective AKT inhibitors. Part II: Improved drug-like properties and kinase selectivity from azaindazoles". scheme or table. p. 679 - 683. Retrieved 2010/07/06.