(2-Methylbenzo[D]thiazol-6-YL)methanol

Base Information

• Chemical Name: (2-Methylbenzo[D]thiazol-6-YL)methanol
• CAS No.: 103440-65-9
• Molecular Formula: C₉H₉NOS
• Molecular Weight: 179.243
• DSSTox Substance ID: DTXSID901301878
• ChEMBL ID: CHEMBL4568372
• Mol file: 103440-65-9.mol

Synonyms:103440-65-9;(2-METHYLBENZO[D]THIAZOL-6-YL)METHANOL;(2-methyl-1,3-benzothiazol-6-yl)methanol;6-Benzothiazolemethanol,2-methyl-(6CI);2-Methyl-6-benzothiazolemethanol;2-Methylbenzothiazole-6-methanol;Enamine_002463;CHEMBL4568372;SCHEMBL13035022;DTXSID901301878;HMS1400P21;MFCD02940901;AKOS001027185;NCGC00321478-01;AS-42690;EN300-112659;AB01316815-02;A926964;Z56823516

Chemical Property of (2-Methylbenzo[D]thiazol-6-YL)methanol

Chemical Property:

• PSA: 61.36000
• LogP: 2.09700
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.04048508
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

(2-Methyl-1,3-benzothiazol-6-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)C=C(C=C2)CO
• Uses: (2-Methyl-1,3-benzothiazol-6-yl)methanol is used in the synthesis of thiazole derivatives. Also, it is derived from (B206863)

Technology Process of (2-Methylbenzo[D]thiazol-6-YL)methanol

There total 3 articles about (2-Methylbenzo[D]thiazol-6-YL)methanol 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:

2-methyl-benzothiazole-6-carboxylic acid ethyl ester (103646-25-9) → (2-methyl-benzothiazol-6-yl)-methanol (103440-65-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

Reference yield:

2-methyl-benzothiazole-6-carboxylic acid; potassium salt → (2-methyl-benzothiazol-6-yl)-methanol (103440-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) oxalyl dichloride, (ii) /BRN= 1718733/

2: LiAlH₄ / diethyl ether

With lithium aluminium tetrahydride; In diethyl ether;

Reference yield:

→ (2-methyl-benzothiazol-6-yl)-methanol (103440-65-9)

Guidance literature:

upstream raw materials:

2-methyl-benzothiazole-6-carboxylic acid ethyl ester

Downstream raw materials:

6-Acetoxymethyl-2-methyl-benzothiazol

6-chloromethyl-2-methyl-benzothiazole

6-Formyl-2-methyl-benzthiazol

2-methylbenzothiazol-5-yl methyl ketone