Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1)

Base Information

Chemical Name:Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1)
CAS No.:34685-93-3
Molecular Formula:C19H24INS
Molecular Weight:425.377
Hs Code.:
Mol file:34685-93-3.mol

Synonyms:C19H24NS.I;C19-H24-N-S.I;Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1);SCHEMBL8468555

Suppliers and Price of Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1)

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

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Chemical Property of Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1)

Chemical Property:

PSA：32.12000
LogP:2.36240
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:425.06742
Heavy Atom Count:22
Complexity:449

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC[N+]1=C(SC2=CC=CC=C21)C=C3CC(CC(=C3)C)(C)C.[I-]
Isomeric SMILES:CC[N+]1=C(SC2=CC=CC=C21)/C=C/3\CC(CC(=C3)C)(C)C.[I-]

Technology Process of Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1)

There total 4 articles about Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, iodide (1:1) 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: 62.0%

: 63450-61-3
C₁₉H₂₄NS⁽¹⁺⁾*C₇H₇O₃S^(1-)

: 34685-93-3
3-ethyl-2-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-benzothiazolium; iodide

Guidance literature:: With potassium iodide; In water; for 2h;
DOI:10.1016/j.dyepig.2021.109182

Reference yield:

: 14933-76-7
3-ethyl-2-methylbenzothiazolium p-toluenesulfonate

: 34685-93-3
3-ethyl-2-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-benzothiazolium; iodide

Guidance literature:: Multi-step reaction with 2 steps

1: acetic anhydride / 12 h / 140 °C

2: potassium iodide / water / 2 h

With potassium iodide; In water; acetic anhydride; 1: |Aldol Condensation;
DOI:10.1016/j.dyepig.2021.109182

Reference yield:

: 120-75-2
2-Methylbenzothiazole

: 34685-93-3
3-ethyl-2-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-benzothiazolium; iodide

Guidance literature:: Multi-step reaction with 3 steps

1: 2 h / 180 °C

2: acetic anhydride / 12 h / 140 °C

3: potassium iodide / water / 2 h

With potassium iodide; In water; acetic anhydride; 2: |Aldol Condensation;
DOI:10.1016/j.dyepig.2021.109182