Benzothiazole-2-carboxaldehyde

Base Information

• Chemical Name: Benzothiazole-2-carboxaldehyde
• CAS No.: 6639-57-2
• Molecular Formula: C8H5NOS
• Molecular Weight: 163.2
• Hs Code.: 2934999090
• Mol file: 6639-57-2.mol

Synonyms:RARECHEM AM LA 0033;BENZOTHIAZOLE-2-CARBOXALDEHYDE;BENZOTHIAZOLE-2-CARBALDEHYDE;1,3-BENZOTHIAZOLE-2-CARBALDEHYDE;1,3-BENZOTHIAZOLE-2-CARBOXALDEHYDE;2-Benzothiazolecarboxaldehyde(6CI,8CI,9CI);2-Benzothiazolecarbaldehyde;benzo[d]thiazole-2-carbaldehyde

Chemical Property of Benzothiazole-2-carboxaldehyde

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 74 °C
• Refractive Index: 1.735
• Boiling Point: 305.713 °C at 760 mmHg
• PKA: -1.12±0.10(Predicted)
• Flash Point: 138.691 °C
• PSA: 58.20000
• Density: 1.384 g/cm³
• LogP: 2.10880
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive

Purity/Quality:

99% ^*data from raw suppliers

1,3-Benzothiazole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-36-22
• Safety Statements: 26-36/37/39-24/25-22-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of Benzothiazole-2-carboxaldehyde

There total 31 articles about Benzothiazole-2-carboxaldehyde 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%

1,3-benzothiazol-2-ylmethanol (37859-42-0) → benzothiazole-2-carbaldehyde (6639-57-2)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; Reflux;

DOI:10.3184/174751917X15040891974776

Reference yield: 86.0%

2-(dimethoxymethyl)-1,3-benzothiazole (1420295-91-5) → benzothiazole-2-carbaldehyde (6639-57-2)

Guidance literature:

With hydrogenchloride; In N,N-dimethyl-formamide; at 50 ℃; for 10h; Reagent/catalyst; Temperature;

Reference yield: 83.0%

2-Methylbenzothiazole (120-75-2) → benzothiazole-2-carbaldehyde (6639-57-2)

Guidance literature:

With iodine; toluene-4-sulfonic acid; In dimethyl sulfoxide; at 130 ℃; for 16h; under 760.051 Torr; Schlenk technique;

DOI:10.1039/c9ob00490d

upstream raw materials:

2-Methylbenzothiazole

1,3-benzothiazol-2-ylmethanol

3-benzothiazol-2-yl-acrylic acid

N'-benzothiazol-2-ylmethylene-N,N-dimethyl-benzene-1,4-diamine N'-oxide

Downstream raw materials:

2-benzothiazol-2-ylmethylene-3-p-tolyl-2H-benzo[1,4]thiazine

2-(3,5-di-p-tolyl-[1,4]thiazin-2-ylidenemethyl)-benzothiazole

2-benzothiazol-2-ylmethylene-7-methoxy-3-p-tolyl-2H-benzo[1,4]thiazine

2-(3,5-diphenyl-[1,4]thiazin-2-ylidenemethyl)-benzothiazole

Refernces

• 1、 García-Ortiz, Alma Lilia,Domínguez-González, Ricardo,Romero-ávila, Margarita,Flores-Pérez, Blas,Guillén, Luis,Castro, Miguel,Barba-Behrens, Norah. "The role of weak interactions in self-assembly of supramolecular associations of benzothiazole derivatives and their coordination compounds". . p. 550 - 560. Retrieved 2018.
• 2、 Ahemed, Jakeer,Bhongiri, Yadagiri,Chetti, Prabhakar,Gade, Ramesh,Kore, Ranjith,Pasha, Jakeer,Pola, Someshwar,Rao D, Venkateshwar. "Synthesis of new Zn (II) complexes for photo decomposition of organic dye pollutants, industrial wastewater and photo-oxidation of methyl arenes under visible-light". . . Retrieved 2021/07/28.
• 3、 Wu, Yue,Guo, Peng,Chen, Long,Duan, Weijie,Yang, Zengzhuan,Wang, Tao,Chen, Ting,Xiong, Fei. "Iron-catalyzed tandem oxidative coupling and acetal hydrolysis reaction to prepare formylated benzothiazoles and isoquinolines". . p. 3271 - 3274. Retrieved 2021/04/07.