Benzothiazol-2-ylmethyl-methyl-amine

Base Information

• Chemical Name: Benzothiazol-2-ylmethyl-methyl-amine
• CAS No.: 17681-30-0
• Molecular Formula: C9H11N2S+
• Molecular Weight: 178.258
• European Community (EC) Number: 840-972-0
• Nikkaji Number: J3.548.792A
• Mol file: 17681-30-0.mol

Synonyms:17681-30-0;Benzothiazol-2-ylmethyl-methyl-amine;1-(BENZO[D]THIAZOL-2-YL)-N-METHYLMETHANAMINE;1-(1,3-benzothiazol-2-yl)-N-methylmethanamine;N-(1,3-benzothiazol-2-ylmethyl)-N-methylamine;(1,3-benzothiazol-2-ylmethyl)methylamine;2-BENZOTHIAZOLEMETHANAMINE, N-METHYL-;[(1,3-benzothiazol-2-yl)methyl](methyl)amine;MFCD06738942;SCHEMBL3248384;XRUPROQYVHMNDL-UHFFFAOYSA-N;Benzothiazol-2-ylmethyl-methylamine;2-[(Methylamino)methyl]benzothiazole;AKOS000201584;AB28230;1-(2-Benzothiazolyl)-N-methylmethanamine;AM803360;AS-63258;SY123052;CS-0308877;FT-0684198;EN300-13750;J-522761;Z94601322

Chemical Property of Benzothiazol-2-ylmethyl-methyl-amine

Chemical Property:

• Vapor Pressure: 0.0045mmHg at 25°C
• Melting Point: 53 °C
• Boiling Point: 277.5°C at 760 mmHg
• PKA: 7.15±0.10(Predicted)
• Flash Point: 121.6°C
• PSA: 53.16000
• Density: 1.205±0.06 g/cm3(Predicted)
• LogP: 2.40660
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.05646950
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

1-(1,3-Benzothiazol-2-yl)-N-methylmethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=NC2=CC=CC=C2S1

Technology Process of Benzothiazol-2-ylmethyl-methyl-amine

There total 6 articles about Benzothiazol-2-ylmethyl-methyl-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%

2-(bromomethyl)-1,3-benzothiazole (106086-78-6) + methylamine (74-89-5) → 1-(benzo[d]thiazol-2-yl)-N-methylmethanamine (17681-30-0)

Guidance literature:

In tetrahydrofuran; water;

Reference yield: 72.0%

2-bromo-1,3-benzothiazole (2516-40-7) + N,N-Dimethyltrimethylsilylamine (2083-91-2) → 1-(benzo[d]thiazol-2-yl)-N-methylmethanamine (17681-30-0)

Guidance literature:

With di-tert-butyl peroxide; at 120 ℃; for 24h;

DOI:10.1002/ejoc.201700548

Reference yield:

benzothiazole-2-carbaldehyde (6639-57-2) + methylamine (74-89-5) → 1-(benzo[d]thiazol-2-yl)-N-methylmethanamine (17681-30-0)

Guidance literature:

benzothiazole-2-carbaldehyde; methylamine; In ethanol; at 20 ℃; for 18h;

With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃;

upstream raw materials:

1,3-Benzothiazole

N,N-dimethyl acetamide

2-(bromomethyl)-1,3-benzothiazole

methylamine

Downstream raw materials:

N-(2-benzothiazolylmethyl)-N-methylbenzamide

N-(1,3-benzothiazol-2-ylmethyl)-5-(2,6-dimethoxyphenyl)-N-methyl-1,2,4-triazin-3-amine

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