6-Benzothiazolecarboxaldehyde,2-amino-(9CI)

Base Information

• Chemical Name: 6-Benzothiazolecarboxaldehyde,2-amino-(9CI)
• CAS No.: 106429-08-7
• Molecular Formula: C8H6 N2 O S
• Molecular Weight: 178.214
• Hs Code.: 2934999090
• Mol file: 106429-08-7.mol

Synonyms:2-Aminobenzothiazole-6-carboxaldehyde

Chemical Property of 6-Benzothiazolecarboxaldehyde,2-amino-(9CI)

Chemical Property:

• Melting Point: >300 °C
• Boiling Point: 388.9±34.0 °C(Predicted)
• PKA: 2.77±0.10(Predicted)
• PSA: 84.95000
• Density: 1.482±0.06 g/cm3(Predicted)
• LogP: 1.62110

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-benzothiazole-6-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-Benzothiazolecarboxaldehyde,2-amino-(9CI)

There total 4 articles about 6-Benzothiazolecarboxaldehyde,2-amino-(9CI) 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: 95.0%

(2-aminobenzo[d]thiazol-6-yl)methanol (106429-07-6) → 2-aminobenzo[d]thiazole-6-carbaldehyde (106429-08-7)

Guidance literature:

With manganese(IV) oxide; In methanol; dichloromethane; at 20 ℃; for 72h;

Reference yield: 50.0%

N-Formylpiperidine (2591-86-8) + 2-bromo-1,3-benzothiazole (2516-40-7) → 2-aminobenzo[d]thiazole-6-carbaldehyde (106429-08-7)

Guidance literature:

2-bromo-1,3-benzothiazole; With phenyllithium; In tetrahydrofuran; diethyl ether; cyclohexane; at -78 ℃; for 0.0833333h;

With tert.-butyl lithium; In tetrahydrofuran; diethyl ether; cyclohexane; pentane; at -78 ℃; for 1h;

N-Formylpiperidine; In tetrahydrofuran; diethyl ether; cyclohexane; pentane; at -78 - 0 ℃; for 1h;

Reference yield:

ethyl 2-aminobenzothiazole-6-carboxylate (50850-93-6) → 2-aminobenzo[d]thiazole-6-carbaldehyde (106429-08-7)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 24 h / 0 - 20 °C

2: manganese(IV) oxide / methanol; dichloromethane / 72 h / 20 °C

With manganese(IV) oxide; lithium aluminium tetrahydride; In tetrahydrofuran; methanol; dichloromethane;

upstream raw materials:

4-aminobenzaldehyde

copper(II) thiocyanate

(2-aminobenzo[d]thiazol-6-yl)methanol

N-Formylpiperidine

Downstream raw materials:

C₁₆H₁₁N₃OS