2-(4,5,6,7-Tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole

Base Information

Chemical Name:2-(4,5,6,7-Tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole
CAS No.:35079-58-4
Molecular Formula:C14H16 S4
Molecular Weight:312.545
Hs Code.:2930909090
DSSTox Substance ID:DTXSID90391772
Nikkaji Number:J1.017.788J,J2.212.091C
Wikidata:Q82189472
Mol file:35079-58-4.mol

Synonyms:35079-58-4;4,4',5,5',6,6',7,7'-Octahydrodibenzotetrathiafulvalene;2-(4,5,6,7-tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole;Octamethylenetetrathiafluvalene;SCHEMBL9248208;DTXSID90391772;AKOS024360142;4,4,5,5,6,6,7,7-OCTAHYDRODIBENZOTETRATHIAFULVALENE

Suppliers and Price of 2-(4,5,6,7-Tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4,4',5,5',6,6',7,7'-OCTA HYDRO DIBENZO TETRATHIAFULVALENE 95.00%
5MG
$ 503.42

Total 7 raw suppliers

Chemical Property of 2-(4,5,6,7-Tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole

Chemical Property:

Melting Point:245 °C (dec.)(lit.)
Boiling Point:448.9°Cat760mmHg
Flash Point:295.8°C
PSA：101.20000
Density:1.42g/cm³
LogP:6.64420
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:312.01348520
Heavy Atom Count:18
Complexity:400

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4',5,5',6,6',7,7'-OCTA HYDRO DIBENZO TETRATHIAFULVALENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2=C(C1)SC(=C3SC4=C(S3)CCCC4)S2

Technology Process of 2-(4,5,6,7-Tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole

There total 5 articles about 2-(4,5,6,7-Tetrahydro-1,3-benzodithiol-2-ylidene)-4,5,6,7-tetrahydro-1,3-benzodithiole 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: 75.0%

: 107907-49-3
1,3-dithiole 2-tripenylphosphonium hexafluorophosphanate

: 35079-58-4
Bis(cyclohexeno)tetrathiafulvalen

: 603-35-0
triphenylphosphine

Guidance literature:: With triethylamine; In tetrahydrofuran; at 25 ℃;

Reference yield: 74.0%

: C₈H₁₁S₃⁽¹⁺⁾*BF₄^(1-)

: 35079-58-4
Bis(cyclohexeno)tetrathiafulvalen

: (methylthio)triphenylphosphonium tetrafluoroborate

Guidance literature:: With triphenylphosphine; In acetonitrile; for 3h; Ambient temperature;

Reference yield:

: 117156-72-6
(4,5-Dimethyl-[1,3]dithiol-2-ylidene)-triphenyl-λ⁵-phosphane

: C₇H₉S₂⁽¹⁺⁾*F₆P^(1-)

: 50708-37-7
tetramethyltetrathiafulvalene

: 35079-58-4
Bis(cyclohexeno)tetrathiafulvalen

: 65220-68-0
dimethyltetramethylenetetrathiafulvalene

: 603-35-0
triphenylphosphine

Guidance literature:: With triethylamine; Yield given. Multistep reaction. Yields of byproduct given; 2.) -80 deg C;
DOI:10.1016/S0040-4039(00)94263-1