2-{[4-(Dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate

Base Information

• Chemical Name: 2-{[4-(Dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate
• CAS No.: 15000-59-6
• Deprecated CAS: 113255-17-7,118548-04-2,12221-29-3,68893-85-6,220751-07-5
• Molecular Formula: C18H22N4O5S2
• Molecular Weight: 438.528
• European Community (EC) Number: 239-094-5
• DSSTox Substance ID: DTXSID30879827
• Mol file: 15000-59-6.mol

Synonyms:15000-59-6;2-{[4-(dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate;Basic Blue 54;EINECS 239-094-5;4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methyl sulfate;Benzothiazolium, 2-[[4-(dimethylamino)phenyl] azo]-6-methoxy-3-methyl-, methyl sulfate;Benzothiazolium, 2-((4-(dimethylamino)phenyl)azo)-6-methoxy-3-methyl-, methyl sulfate;Benzothiazolium, 2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate;C17H19N4OS.CH3O4S;Benzothiazolium, 2-(2-(4-(dimethylamino)phenyl)diazenyl)-6-methoxy-3-methyl-, methyl sulfate (1:1);C17-H19-N4-O-S.C-H3-O4-S;2-[[4-(DIMETHYLAMINO)PHENYL]AZO]-6-METHOXY-3-METHYLBENZOTHIAZOLIUM METHYL SULPHATE;Benzothiazolium, 2-[[p-(dimethylamino)phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate;C.I. Basic Blus 54;SCHEMBL8388977;DTXSID30879827;AKOS015917858;2-((4-(Dimethylamino)phenyl)azo)-6-methoxy-3-methylbenzothiazoliummethyl sulphate;2-[[4-(Dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazol-3-ium methylsulfate

Chemical Property of 2-{[4-(Dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate

Chemical Property:

• Appearance/Colour: White granule
• PSA: 69.31000
• LogP: 4.21580
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 438.10316216
• Heavy Atom Count: 29
• Complexity: 502

Purity/Quality:

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

BASIC BLUE 54 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C.COS(=O)(=O)[O-]

Technology Process of 2-{[4-(Dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate

There total 1 articles about 2-{[4-(Dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate 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:

2-[[4-(Dimethylamino)phenyl]azo]-6-methoxybenzothiazole (117212-33-6) → 2-[[(4-Dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazol-3-ium methylsulfate (15000-59-6)

Guidance literature:

With dimethyl sulfate; In chlorobenzene;

upstream raw materials:

2-[[4-(Dimethylamino)phenyl]azo]-6-methoxybenzothiazole

Refernces