(2E)-3-methyl-1,3-benzothiazol-2(3H)-one hydrazone hydrochloride

Base Information

• Chemical Name: (2E)-3-methyl-1,3-benzothiazol-2(3H)-one hydrazone hydrochloride
• CAS No.: 1128-67-2
• Molecular Formula: C8H9 N3 S
• Molecular Weight: 179.246
• Hs Code.: 29342000
• European Community (EC) Number: 214-440-8
• Nikkaji Number: J13.756A
• Wikidata: Q27285926
• Mol file: 1128-67-2.mol

Synonyms:3-methyl-2-benzothiazolinone hydrazone;3-methyl-2-benzothiazolone hydrazone;3-methyl-2-benzothiazolone hydrazone, monohydrochloride;MBTH;methyl-benzothiazol-2-on-hydrazone

Chemical Property of (2E)-3-methyl-1,3-benzothiazol-2(3H)-one hydrazone hydrochloride

Chemical Property:

• Appearance/Colour: white to beige crystalline powder
• Vapor Pressure: 7.31E-05mmHg at 25°C
• Melting Point: 144°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 342.9°Cat760mmHg
• PKA: 4.51±0.20(Predicted)
• Flash Point: 161.2°C
• PSA: 71.55000
• Density: 1.37g/cm³
• LogP: 1.71450
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 179.05171847
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

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

2-Hydrazono-3-methyl-2,3-dihydrobenzo[d]thiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2SC1=NN
• Isomeric SMILES: CN\1C2=CC=CC=C2S/C1=N/N

Technology Process of (2E)-3-methyl-1,3-benzothiazol-2(3H)-one hydrazone hydrochloride

There total 16 articles about (2E)-3-methyl-1,3-benzothiazol-2(3H)-one hydrazone hydrochloride 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: 96.4%

C8H9N2S(1+)*CH3O4S(1-) → 3-methyl-2-benzothiazolinone hydrazone (1128-67-2,46045-62-9)

Guidance literature:

With hydrazine hydrate; at 98 - 99 ℃; pH=2 - 4;

Reference yield: 87.0%

3-methylbenzothiazole-2-thione (2254-94-6) → 3-methyl-2-benzothiazolinone hydrazone (1128-67-2,46045-62-9)

Guidance literature:

With hydrogenchloride; hydrazine hydrate; In methanol; water; for 4h; Reflux;

Reference yield: 72.0%

2-methylthio-3-methylbenzothiazolium iodide (20064-98-6) → 3-methyl-2-benzothiazolinone hydrazone (1128-67-2,46045-62-9)

Guidance literature:

With amino aminoalcohol; triethylamine; In acetonitrile; for 2h;

DOI:10.1039/c5ra12925g

upstream raw materials:

3-methylbenzothiazole-2-thione

3-methyl-2-methylthiobenzothiazolium methylsulfate

2-methylthio-3-methylbenzothiazolium iodide

3-methyl-2-methylsulfanyl-benzothiazolium; picrate

Downstream raw materials:

2-(isopropylidenehydrazono)-3-methylbenzothiazoline

4,4'-Bis(dimethylaminobenzophenone) N-methylbenzothiazol-2(3H)-one azine

N-(3-chlorophenyl)-2-(3-methylbenzo[d]thiazol-2 (3H)-ylidene)hydrazine-carboxamide

Refernces

• 1、 Baker,Fierz-David. "-". . p. 2011,2017. Retrieved 1950.
• 2、 -. "3 - Methyl -2 - benzothiazolinone hydrazone hydrochloride salt and its hydrate synthesis method". Paragraph 0016; 0017; 0018. . Retrieved 2019/01/08.
• 3、 -. "A process for preparing cationic bright yellow 7 GL of the preparation method of the parent". Paragraph 0048-0049. . Retrieved 2017/09/13.