1,3-Benzodithiole, 2-(1,3-benzodithiol-2-ylidene)-

Base Information

• Chemical Name: 1,3-Benzodithiole, 2-(1,3-benzodithiol-2-ylidene)-
• CAS No.: 24648-13-3
• Molecular Formula: C14H8 S4
• Molecular Weight: 304.482
• European Community (EC) Number: 636-727-0
• NSC Number: 623559
• DSSTox Substance ID: DTXSID20179388
• Nikkaji Number: J209.534C
• Wikidata: Q83049922
• ChEMBL ID: CHEMBL1991780
• Mol file: 24648-13-3.mol

Synonyms:1,3-benzodithiole, 2-(1,3-benzodithiol-2-ylidene)-;2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole;DBTTF;dibenzo-tetra-thia-fulvalene;dibenzo-tetrathiafulvalene;dibenzotetra-thia-fulvalene;dibenzotetrathiafulvalene

Chemical Property of 1,3-Benzodithiole, 2-(1,3-benzodithiol-2-ylidene)-

Chemical Property:

• Vapor Pressure: 2.95E-05mmHg at 25°C
• Melting Point: 239-243oC
• Boiling Point: 367.1°C at 760 mmHg
• Flash Point: 207.5°C
• PSA: 101.20000
• Density: 1.538g/cm³
• LogP: 5.90900
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 303.95088495
• Heavy Atom Count: 18
• Complexity: 299

Purity/Quality:

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

Dibenzotetrathiafulvalene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)SC(=C3SC4=CC=CC=C4S3)S2

Technology Process of 1,3-Benzodithiole, 2-(1,3-benzodithiol-2-ylidene)-

There total 16 articles about 1,3-Benzodithiole, 2-(1,3-benzodithiol-2-ylidene)- 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: 99.0%

2-methoxybenzo[d][1,3]dithiole (53301-48-7) + Acetanilid (103-84-4) → dibenzotetrathiafulvalene (24648-13-3) + N-Benzo[1,3]dithiol-2-yl-N-phenyl-acetamide (103214-93-3)

Guidance literature:

With trichloroacetic acid; In benzene; for 9h; Heating;

Reference yield: 92.0%

N-methylbenzamide (88070-48-8) + 2-methoxybenzo[d][1,3]dithiole (53301-48-7) → dibenzotetrathiafulvalene (24648-13-3) + N-Benzo[1,3]dithiol-2-yl-N-methyl-benzamide (103214-89-7)

Guidance literature:

With trichloroacetic acid; In benzene; for 9h; Heating;

Reference yield: 70.0%

1,3-benzodithiol-2-ylium tetrafluoroborate (57842-27-0) → 2-thioxo-1,3-benzodithiole (934-36-1) + dibenzotetrathiafulvalene (24648-13-3)

Guidance literature:

With sulfur; In pyridine; for 1h; Heating;

DOI:10.1016/S0040-4039(00)81988-7

upstream raw materials:

carbon disulfide

(1,3-benzodithiol-2-ylidene)triphenylphosphorane

benzenedizolium-2-carboxylate

2-thioxo-1,3-benzodithiole

Downstream raw materials:

dibenzotetrathiafulvalene * 7,7,8,8-tetracyano-p-quinodimethane