N-Methyl-1,3-benzothiazol-6-amine

Base Information

• Chemical Name: N-Methyl-1,3-benzothiazol-6-amine
• CAS No.: 161557-60-4
• Molecular Formula: C8H8 N2 S
• Molecular Weight: 164.231
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID20442665
• Wikidata: Q72487936
• Mol file: 161557-60-4.mol

Synonyms:161557-60-4;N-Methyl-1,3-benzothiazol-6-amine;N-METHYL-6-BENZOTHIAZOLAMINE;6-Benzothiazolamine, N-methyl-;N-Methylbenzo[d]thiazol-6-amine;6-methylamino-benzothiazole;SCHEMBL616687;n-methyl-6-benzo[d]thiazolamine;DTXSID20442665;WKOVHZDMEIGOEL-UHFFFAOYSA-N;6-Benzothiazolamine,N-methyl-(9CI);AKOS022185194;EN300-122991

Chemical Property of N-Methyl-1,3-benzothiazol-6-amine

Chemical Property:

• PSA: 53.16000
• LogP: 2.41100
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.04081944
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

N-Methyl-6-benzothiazolamine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC2=C(C=C1)N=CS2

Technology Process of N-Methyl-1,3-benzothiazol-6-amine

There total 5 articles about N-Methyl-1,3-benzothiazol-6-amine 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: 80.0%

1,3-benzothiazol-6-amine (533-30-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → N-methylbenzo[d]thiazole-6-amine (161557-60-4)

Guidance literature:

1,3-benzothiazol-6-amine; formaldehyd; With sodium methylate; In methanol; for 2h; Reflux;

With sodium tetrahydroborate; In methanol; for 1h; Reflux;

DOI:10.1021/jm900871v

Reference yield: 50.0%

1,3-benzothiazol-6-amine (533-30-2) + methyl iodide (74-88-4) → N-methylbenzo[d]thiazole-6-amine (161557-60-4)

Guidance literature:

With potassium hydroxide; In acetone; for 2h; Heating;

DOI:10.1021/jm049372z

Reference yield: 42.0%

6-trifluoroacetamido-benzothiazole (161557-59-1) + methyl iodide (74-88-4) → N-methylbenzo[d]thiazole-6-amine (161557-60-4)

Guidance literature:

With potassium hydroxide; In acetone; for 0.666667h; Heating;

DOI:10.1016/S0223-5234(99)80009-9

upstream raw materials:

6-trifluoroacetamido-benzothiazole

methyl iodide

1,3-benzothiazol-6-amine

C₈H₉N₃S

Refernces

• 1、 Serdons, Kim,Van Laere, Koen,Janssen, Peter,Kung, Hank F.,Bormans, Guy,Verbruggen, Alfons. "Synthesis and evaluation of three 18F-labeled aminophenylbenzothiazoles as amyloid imaging agents". supporting information; experimental part. p. 7090 - 7102. Retrieved 2010/07/20.
• 2、 Hansen, John Bondo,Fink-Jensen, Anders,Christensen, Birgitte V.,Gronvald, Frederick C.,Jeppesen, Lone,Mogensen, John P.,Nielsen, Erik B.,Scheideler, Mark A.,White, Francis J.,Zhang, Xu-Feng. "Mesolimbic selective antipsychotic arylcarbamates". . p. 839 - 858. Retrieved 2007/10/03.