2(3H)-Benzothiazolone, 3-methyl-, hydrazone, monohydrochloride

Base Information

• Chemical Name: 2(3H)-Benzothiazolone, 3-methyl-, hydrazone, monohydrochloride
• CAS No.: 4338-98-1
• Molecular Formula: C8H9N3S
• Molecular Weight: 215.706
• European Community (EC) Number: 238-428-7,224-393-5,677-687-4
• DSSTox Substance ID: DTXSID60884060
• Mol file: 4338-98-1.mol

Synonyms:3-Methyl-2-benzothiazolinone hydrazone hydrochloride;149022-15-1;2(3H)-Benzothiazolone, 3-methyl-, hydrazone, monohydrochloride;4338-98-1;14448-67-0;(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride;3-Methyl-2-benzothiazolone hydrazone hydrochloride;C8H9N3S.xClH;C8H9N3S.ClH;C8-H9-N3-S.Cl-H;(Z)-2-Hydrazono-3-methyl-2,3-dihydrobenzo[d]thiazole hydrochloride;3-Methyl-2-benzothiazolinone hydrazonechydrochloride;2(3H)-Benzothiazolone, 3-methyl-, hydrazone, hydrochloride;DTXSID60884060;BCP11674;AKOS028108517;3-Methyl-2-Benzothiazolinonehydrazone HCl;M0160;2,3-dihydro-3-methyl-2-benzothiazolone hydrazone hydrochloride;(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;2,3-dihydro-3-methyl-2-benzothiazolone hydra-zone hydrochloride

Chemical Property of 2(3H)-Benzothiazolone, 3-methyl-, hydrazone, monohydrochloride

Chemical Property:

• Vapor Pressure: 7.31E-05mmHg at 25°C
• Boiling Point: 342.9 °C at 760 mmHg
• Flash Point: 161.2 °C
• PSA: 71.55000
• Density: 1.37 g/cm³
• LogP: 2.51650
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 215.0283962
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

98% ^*data from raw suppliers

3-Methyl-2-benzothiazolinonehydrazone Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2SC1=NN.Cl

Technology Process of 2(3H)-Benzothiazolone, 3-methyl-, hydrazone, monohydrochloride

There total 8 articles about 2(3H)-Benzothiazolone, 3-methyl-, hydrazone, monohydrochloride 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-Mercaptobenzothiazole (149-30-4,118090-09-8) + Methyl benzenesulfonate (80-18-2) → (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride (4338-98-1)

Guidance literature:

2-Mercaptobenzothiazole; Methyl benzenesulfonate; With potassium hydroxide; In water; at 90 ℃; for 6.5h;

With hydrazine hydrate;

With hydrogenchloride; In water; at 60 ℃; Reagent/catalyst; Temperature;

Reference yield: 90.0%

2,3-dihydro-3-methyl-2-benzothiazolone hydrazone (62082-97-7,46045-62-9) → 2-hydrazono-3-methyl-2,3-dihydrobenzo[d]thiazole hydrochloride (4338-98-1,41338-96-9)

Guidance literature:

With hydrogenchloride; In methanol; water; at 50 ℃; for 1h;

DOI:10.1039/c5ra12925g

Reference yield: 86.0%

3-methyl-2-benzothiazolinone hydrazone (1128-67-2,46045-62-9) → (E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride (4338-98-1)

Guidance literature:

With hydrogenchloride; In dichloromethane; water; Solvent; Cooling with ice;

upstream raw materials:

N-methylaniline

methyl-phenyl-dithiocarbamic acid

3-methyl-2-benzothiazolinone hydrazone

2-Mercaptobenzothiazole

Downstream raw materials:

2-Imino-3-methylbenzothiazolin

3-methyl-(3H)benzothiazolone

4-((E)-{4-[(2-bromoethyl)(ethyl)amino]phenyl}diazenyl)benzaldehyde-((2Z)-3-methyl-1,3-benzothiazol-2(3H)-ylidene) hydrazone

3-(Phenylthio)-2-cyclohexen-1-on-<3-methyl-2(3H)-benzothiazolyliden>hydrazon

Refernces

• 1、 -. "3 - Methyl -2 - benzothiazolinone hydrazone hydrochloride salt and its hydrate synthesis method". . . Retrieved 2019/01/08.
• 2、 Chenevier,Bourel-Bonnet,Roux. "Chemical Characterization of α-Oxohydrazone Ligation on Colloids: Toward Grafting Molecular Addresses onto Biological Vectors". . p. 16261 - 16270. Retrieved 2007/10/03.