N-benzyl-6-methoxy-1,3-benzothiazol-2-amine

Base Information

• Chemical Name: N-benzyl-6-methoxy-1,3-benzothiazol-2-amine
• CAS No.: 16763-01-2
• Molecular Formula: C15H14 N2 O S
• Molecular Weight: 270.355
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50366466
• Nikkaji Number: J2.897.726C
• Wikidata: Q82151690
• Mol file: 16763-01-2.mol

Synonyms:16763-01-2;N-benzyl-6-methoxy-1,3-benzothiazol-2-amine;N-benzyl-6-methoxybenzo[d]thiazol-2-amine;DTXSID50366466;AKOS001057607;6-Methoxy-N-benzylbenzothiazole-2-amine;EN300-09204;AB00670894-01;AB00670894-02;SR-01000007856;SR-01000007856-1;Z55176438;1H-Imidazole-5-carboxylic acid, 4-ethyl-, ethyl ester;F0646-3601

Chemical Property of N-benzyl-6-methoxy-1,3-benzothiazol-2-amine

Chemical Property:

• Vapor Pressure: 7.17E-08mmHg at 25°C
• Boiling Point: 438°Cat760mmHg
• Flash Point: 218.7°C
• PSA: 65.62000
• Density: 1.284g/cm³
• LogP: 3.33890
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 270.08268425
• Heavy Atom Count: 19
• Complexity: 283

Purity/Quality:

NLT 98% ^*data from raw suppliers

N-Benzyl-6-methoxybenzo[d]thiazol-2-amine 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=C(S2)NCC3=CC=CC=C3

Technology Process of N-benzyl-6-methoxy-1,3-benzothiazol-2-amine

There total 9 articles about N-benzyl-6-methoxy-1,3-benzothiazol-2-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: 95.0%

6-methoxybenzothiazol-2-ylamine (1747-60-0) + benzyl alcohol (100-51-6,185532-71-2) → N‐benzyl‐6‐methoxybenzo[d]thiazol‐2‐amine (16763-01-2)

Guidance literature:

With sodium hydroxide; at 120 ℃; for 6h; Sealed tube; Green chemistry;

DOI:10.1039/c4gc02542c

Reference yield: 79.0%

6-methoxybenzothiazol-2-ylamine (1747-60-0) + benzaldehyde (100-52-7) → N‐benzyl‐6‐methoxybenzo[d]thiazol‐2‐amine (16763-01-2)

Guidance literature:

benzaldehyde; With toluene-4-sulfonic acid hydrazide; In toluene; at 70 ℃; for 1.5h;

6-methoxybenzothiazol-2-ylamine; With copper(l) iodide; sodium hydroxide; In toluene; at 150 ℃; for 2.5h;

Reference yield: 67.0%

4-Methoxyphenyl isothiocyanate (2284-20-0) + benzylamine (100-46-9) → N‐benzyl‐6‐methoxybenzo[d]thiazol‐2‐amine (16763-01-2)

Guidance literature:

With iodine; oxygen; In chlorobenzene; at 120 ℃; for 12h; under 760.051 Torr; Schlenk technique; Green chemistry;

DOI:10.1021/acs.joc.7b01683

upstream raw materials:

N¹-benzyl-N²-(4-methoxyphenyl)-thiourea

Benzyl isothiocyanate

4-methoxy-aniline

6-methoxybenzothiazol-2-ylamine

Downstream raw materials:

N-benzyl-N',N'-diethyl-N-(6-methoxy-benzothiazol-2-yl)-ethane-1,2-diamine

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