2,3-Dimethylbenzo[d]thiazol-3-ium methyl sulfate

Base Information

• Chemical Name: 2,3-Dimethylbenzo[d]thiazol-3-ium methyl sulfate
• CAS No.: 2038-15-5
• Molecular Formula: C10H14NO4S2+
• Molecular Weight: 275.35
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90942541
• NSC Number: 408412
• Mol file: 2038-15-5.mol

Synonyms:2038-15-5;2,3-dimethylbenzothiazolium methyl sulfate;2,3-dimethylbenzo[d]thiazol-3-ium methyl sulfate;2,3-Dimethyl-1,3-benzothiazol-3-ium methyl sulfate;2,3-dimethyl-1,3-benzothiazol-3-ium;methyl sulfate;SCHEMBL4613852;DTXSID90942541;NSC408412;AKOS015958659;NSC-408412;2,3-dimethylbenzothiazolium methylsulfate;Benzothiazolium,2,3-dimethyl-,methylsulfate;Benzothiazolium, 2,3-dimethyl-, methyl sulfate;EN300-24592906;2, 3-dimethyl-1, 3-benzothiazol-3-ium;F9995-0273

Chemical Property of 2,3-Dimethylbenzo[d]thiazol-3-ium methyl sulfate

Chemical Property:

• Melting Point: 140 °C(Solv: benzene (71-43-2))
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 106.93000
• Density: g/cm³
• LogP: 2.20800
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 275.02860024
• Heavy Atom Count: 17
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

2,3-DIMETHYLBENZOTHIAZOLIUM METHYL SULFATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C2=CC=CC=C2S1)C.COS(=O)(=O)[O-]
• Uses: 2,3-Dimethylbenzothiazolium Methyl Sulfate (cas# 2038-15-5) is a compound useful in organic synthesis.

Technology Process of 2,3-Dimethylbenzo[d]thiazol-3-ium methyl sulfate

There total 4 articles about 2,3-Dimethylbenzo[d]thiazol-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: 92.0%

2,3-dimethylbenzothiazolium iodide (2785-06-0) + dimethyl sulfate (77-78-1) → 2,3-dimethylbenzothiazolium methosulfate (2038-15-5)

Guidance literature:

at 80 ℃; for 0.583333h;

Reference yield: 87.0%

2-Methylbenzothiazole (120-75-2) + dimethyl sulfate (77-78-1) → 2,3-dimethylbenzothiazolium methosulfate (2038-15-5)

Guidance literature:

In acetone; at 20 ℃; for 48h; Darkness;

DOI:10.1007/s10895-015-1700-4

Reference yield:

2-Aminophenyl disulfide (1141-88-4) → 2,3-dimethylbenzothiazolium methosulfate (2038-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc-powder; acetic acid

2: benzene

With acetic acid; zinc; benzene;

upstream raw materials:

2-Methylbenzothiazole

dimethyl sulfate

2,3-dimethylbenzothiazolium iodide

2-Aminophenyl disulfide

Downstream raw materials:

2-chloro-4,4,5,5,6,6-hexafluoro-3-(3-methyl-3H-benzothiazol-2-ylidenemethyl)-cyclohex-2-enone

3-methoxy-6-(3-methyl-3H-benzothiazol-2-ylidene)-1-phenyl-hexa-2,4-dien-1-one

3-<(3-methyl-2(3H)-benzothiazolylidene)methyl>-2-cyanohexafluoro-2-cyclohexen-1-one

3-Ethyl-5-<2-(2-hydroxybenzoyl)-4-<3-methyl-2(3H)-benzothiazolylidene>buten-2-ylidene>thiazolidine-2-thion-4-one

Refernces

• 1、 Vasilev, Aleksey A.,Kandinska, Meglena I.,Stoyanov, Stanimir S.,Yordanova, Stanislava B.,Sucunza, David,Vaquero, Juan J.,Casta?o, Obis D.,Baluschev, Stanislav,Angelova, Silvia E.. "Halogen-containing thiazole orange analogues - New fluorogenic DNA stains". . p. 2902 - 2914. Retrieved 2017.
• 2、 -. "Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative". . . Retrieved 2008/06/13.