3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate

Base Information

Chemical Name:3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
CAS No.:63450-61-3
Molecular Formula:C26H31NO3S2
Molecular Weight:469.6592
Hs Code.:
DSSTox Substance ID:DTXSID5069835

Synonyms:DTXSID5069835

Suppliers and Price of 3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate

Supply Marketing:

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

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Chemical Property of 3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:469.17453620
Heavy Atom Count:32
Complexity:642

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.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Isomeric SMILES:CC[N+]1=C(SC2=CC=CC=C21)/C=C\3/CC(CC(=C3)C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Technology Process of 3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate

There total 2 articles about 3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate 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:

: 78-59-1
3,5,5-Trimethylcyclohex-2-en-1-one

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

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

Guidance literature:: In acetic anhydride; at 140 ℃; for 12h;
DOI:10.1016/j.dyepig.2021.109182

Reference yield:

: 120-75-2
2-Methylbenzothiazole

: 80-40-0
ethyl ester of p-toluenesulfonic acid

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

Guidance literature:: Multi-step reaction with 2 steps

1: 2 h / 180 °C

2: acetic anhydride / 12 h / 140 °C

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