2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI)

Base Information

• Chemical Name: 2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI)
• CAS No.: 854059-90-8
• Molecular Formula: C₉H₇NO₂S
• Molecular Weight: 193.226
• Mol file: 854059-90-8.mol

Synonyms:5-Methoxy-2-benzothiazolecarboxaldehyde

Chemical Property of 2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI)

Chemical Property:

• Melting Point: 100-101 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 145-160 °C(Press: 8 Torr)
• PKA: -0.52±0.10(Predicted)
• PSA: 67.43000
• Density: 1.361±0.06 g/cm3(Predicted)
• LogP: 2.11740

Purity/Quality:

99%min ^*data from raw suppliers

5-Methoxybenzothiazole-2-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI)

There total 2 articles about 2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI) 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: 85.0%

5-methoxy-2-methylbenzo[d]thiazole (2941-69-7) → 5-methoxybenzothiazole-2-carboxaldehyde (854059-90-8)

Guidance literature:

With iodine; oxygen; trifluoroacetic acid; In ethyl acetate; at 70 ℃; for 20h; Irradiation;

DOI:10.1002/adsc.201500811

Reference yield:

2-hydroxymethyl-5-methoxybenzothiazole → 5-methoxybenzothiazole-2-carboxaldehyde (854059-90-8)

Guidance literature:

With manganese(IV) oxide; In tetrahydrofuran; at 70 ℃; for 11h;

Reference yield:

5-methoxybenzothiazole-2-carboxaldehyde (854059-90-8) → C15H17N5OS (1204196-99-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium methylate; hydroxylamine hydrochloride / ethanol / 20 °C / Inert atmosphere

2.1: acetic acid; zinc / 3 h / 20 °C / Inert atmosphere

2.2: Inert atmosphere

3.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h / 20 °C / Inert atmosphere

3.2: 80 °C / Inert atmosphere

With hydroxylamine hydrochloride; sodium methylate; acetic acid; 3-chloro-benzenecarboperoxoic acid; zinc; In ethanol; dichloromethane;

DOI:10.1021/jm301499r

upstream raw materials:

5-methoxy-2-methylbenzo[d]thiazole

Downstream raw materials:

C₁₅H₁₇N₅OS

Refernces

• 1、 -. "Blue light absorbing material, preparation method and application thereof, and blue light preventing lens". Paragraph 0100-0102. . Retrieved 2021/08/28.
• 2、 Baig, Mirza Feroz,Shaik, Siddiq Pasha,Nayak, V. Lakshma,Alarifi, Abdullah,Kamal, Ahmed. "Iodine-catalyzed Csp3-H functionalization of methylhetarenes: One-pot synthesis and cytotoxic evaluation of heteroarenyl-benzimidazoles and benzothiazole". supporting information. p. 4039 - 4043. Retrieved 2017/08/23.