2-(Morpholinothio)benzothiazole

Base Information

• Chemical Name: 2-(Morpholinothio)benzothiazole
• CAS No.: 102-77-2
• Deprecated CAS: 108251-60-1,31440-29-6,35309-99-0,40860-79-5,182077-65-2,198352-30-6,909403-78-7,182077-65-2,198352-30-6,31440-29-6,35309-99-0,40860-79-5,909403-78-7
• Molecular Formula: C11H12N2OS2
• Molecular Weight: 252.361
• Hs Code.: 29342000
• European Community (EC) Number: 203-052-4
• NSC Number: 70078
• UNII: VCD7623F3K
• DSSTox Substance ID: DTXSID0021096
• Nikkaji Number: J3.600E
• Wikidata: Q27291760
• Metabolomics Workbench ID: 154864
• ChEMBL ID: CHEMBL1530581
• Mol file: 102-77-2.mol

Synonyms:MMBT;morpholinyl mercaptobenzothiazole;morpholinylmercaptobenzothiazole;N-oxydiethylene-2-benzothiazole sulfenamide;OBTS

Chemical Property of 2-(Morpholinothio)benzothiazole

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 2.92E-08mmHg at 25°C
• Melting Point: 78-80 °C
• Refractive Index: 1.703
• Boiling Point: 413.1 °C at 760 mmHg
• PKA: 1.05±0.10(Predicted)
• Flash Point: 203.6 °C
• PSA: 78.90000
• Density: 1.34-1.40
• LogP: 2.57350
• Storage Temp.: -20°C
• Solubility.: Acetone (Slightly, Heated, Sonicated), Chloroform (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 252.03910536
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

PPP1R12A ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 22-51/53-43-36/38
• Safety Statements: 20/21-36-61-37-26-24-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Rubber Additives
• Canonical SMILES: C1COCCN1SC2=NC3=CC=CC=C3S2
• Description: This rubber vulcanization accelerator is used as a chemical in the rubber industry, especially in the production of synthetic rubber articles. Is contained in the "mercapto mix". As a corrosion inhibitor, it can be found in cutting fluids or in releasing fluids in the pottery industry. It induces mainly delayed-type hypersensitivity, but a case of immediate-type hypersensitivity was reported in a dental assistant.
• Uses: Delayed-action vulcanization accelerator.

Technology Process of 2-(Morpholinothio)benzothiazole

There total 9 articles about 2-(Morpholinothio)benzothiazole 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: 99.5%

morpholine (110-91-8,99108-56-2) + di(benzothiazol-2-yl)disulfide (120-78-5) → 4-(benzothiazole-2-sulfenyl)-morpholine (102-77-2)

Guidance literature:

With sodium hydroxide; In toluene;

Reference yield: 98.9%

morpholine (110-91-8,99108-56-2) + benzothiazole sulfenamide (2801-21-0) → 4-(benzothiazole-2-sulfenyl)-morpholine (102-77-2)

Guidance literature:

morpholine; benzothiazole sulfenamide; With potassium sulfate; In tetrachloromethane; at 37 ℃; for 2h;

With potassium hexacyanoferrate(III); In tetrachloromethane; at 58 ℃; for 3.83333h; Temperature;

Reference yield: 96.5%

morpholine (110-91-8,99108-56-2) + dibenzolthiazolyl disulphide + N-Cyclohexyl-2-benzothiazole sulphene amide + di(benzothiazol-2-yl)disulfide (120-78-5) → 4-(benzothiazole-2-sulfenyl)-morpholine (102-77-2)

Guidance literature:

In ethanol;

upstream raw materials:

morpholine

2-thioxo-3H-1,3-benzothiazole

benzothiazole sulfenamide

4-chloromorpholine

Downstream raw materials:

morpholine

4,4'-bimorpholine

di(benzothiazol-2-yl)disulfide

2-Mercaptobenzothiazole

Refernces

• 1、 Dong, Zhi-Bing,Fan, Yong-Hao,Hao, Er-Jun,Hu, Zhi-Chao,Peng, Kang,Shi, Zhen,Wu, Yue-Xiao. "Iodine-Mediated Cross-Dehydrogenative Coupling of Heterocyclic Thiols with Amines: An Easy and Practical Formation of S?N Bond". . p. 5889 - 5894. Retrieved 2021/11/27.
• 2、 Dou, Yingchao,Huang, Xin,Wang, Hao,Yang, Liting,Li, Heng,Yuan, Bingxin,Yang, Guanyu. "Reusable cobalt-phthalocyanine in water: Efficient catalytic aerobic oxidative coupling of thiols to construct S-N/S-S bonds". supporting information. p. 2491 - 2495. Retrieved 2017/07/17.