Bis(1,3-dithian-2-yl)methane

Base Information

• Chemical Name: Bis(1,3-dithian-2-yl)methane
• CAS No.: 14947-51-4
• Molecular Formula: C9H16 S4
• Molecular Weight: 252.48
• Hs Code.: 2934999090
• NSC Number: 132850
• DSSTox Substance ID: DTXSID70299782
• Nikkaji Number: J1.991.553K
• Wikidata: Q82042434
• Mol file: 14947-51-4.mol

Synonyms:Bis(1,3-dithian-2-yl)methane;14947-51-4;2-(1,3-dithian-2-ylmethyl)-1,3-dithiane;1,3-Dithiane, 2,2'-methylenebis-;2,2'-Methylenebis(1,3-dithiane);NSC132850;DTXSID70299782;AKOS024331659;NSC-132850;BIS-(1,3-DITHIAN-2-YL)METHANE;FT-0663275;FT-0663276;FT-0663277;J-008592;| cent,| cent,| cent,| cent',| cent'-Pentachloro-2-xylene

Chemical Property of Bis(1,3-dithian-2-yl)methane

Chemical Property:

• Vapor Pressure: 2.34E-06mmHg at 25°C
• Melting Point: 112-113°C
• Boiling Point: 403.6°Cat760mmHg
• Flash Point: 283.8°C
• PSA: 101.20000
• Density: 1.234g/cm³
• LogP: 3.76890
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 252.01348520
• Heavy Atom Count: 13
• Complexity: 123

Purity/Quality:

98%min ^*data from raw suppliers

Bis(1,3-dithian-2-yl)methane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(SC1)CC2SCCCS2

Technology Process of Bis(1,3-dithian-2-yl)methane

There total 7 articles about Bis(1,3-dithian-2-yl)methane 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: 82.0%

1.3-propanedithiol (109-80-8) + malonaldehydebis(dimethylacetal) (102-52-3) → malonaldehyde bis(propylene dithioacetal) (14947-51-4)

Guidance literature:

With boron trifluoride diethyl etherate; In chloroform; acetic acid; for 2h; Heating;

DOI:10.1016/0022-328X(88)83005-5

Reference yield: 80.0%

1.3-propanedithiol (109-80-8) + malonaldehydebis(dimethylacetal) (102-52-3) → malonaldehyde bis(propylene dithioacetal) (14947-51-4) + 2-(2,2-dimethoxyethyl)1,3-dithiane (56169-20-1)

Guidance literature:

With thionyl chloride; silica gel; In benzene; for 5h; Ambient temperature;

DOI:10.1016/0022-328X(88)83005-5

Reference yield: 41.0%

1.3-propanedithiol (109-80-8) + malonaldehydebis(dimethylacetal) (102-52-3) → malonaldehyde bis(propylene dithioacetal) (14947-51-4) + [1,3]dithian-2-yl-acetaldehyde (57688-55-8)

Guidance literature:

With boron trifluoride diethyl etherate; In chloroform; acetic acid; for 2h; Heating;

DOI:10.1016/0022-328X(88)83005-5

upstream raw materials:

1.3-propanedithiol

malonaldehydebis(dimethylacetal)

methyl 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethylphenanthrene-1-carboxylate

benzene

Downstream raw materials:

C₂₁H₂₈Si₂

Refernces

• 1、 Shi-Qi, Peng,Winterfeldt, Ekkehard. "Synthesis of Malonaldehyde Monoacetals". . p. 1045 - 1047. Retrieved 2007/10/02.