5-(4-Methoxy-benzyl)-thiazol-2-ylamine

Base Information

• Chemical Name: 5-(4-Methoxy-benzyl)-thiazol-2-ylamine
• CAS No.: 299953-06-3
• Molecular Formula: C11H12N2OS
• Molecular Weight: 220.295
• Hs Code.: 2934100090
• European Community (EC) Number: 862-141-1
• DSSTox Substance ID: DTXSID60389646
• Wikidata: Q82185630
• ChEMBL ID: CHEMBL1321037
• Mol file: 299953-06-3.mol

Synonyms:299953-06-3;5-(4-Methoxy-benzyl)-thiazol-2-ylamine;5-(4-Methoxybenzyl)thiazol-2-amine;5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine;5-(4-methoxybenzyl)-1,3-thiazol-2-amine;5-(4-Methoxy-benzyl)thiazol-2-ylamine;2-Thiazolamine, 5-[(4-methoxyphenyl)methyl]-;2-amino-5-(4-methoxybenzyl)-1,3-thiazole;Oprea1_053183;Oprea1_650559;MLS000719352;IFLab1_004066;SCHEMBL3138985;CHEMBL1321037;DTXSID60389646;MSYFQOUPMXMROC-UHFFFAOYSA-N;HMS1423I18;HMS2683D22;5-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,3-thiazol-2-imine;STL120655;AKOS000134294;SMR000287077;EN300-28789;SR-01000404755;SR-01000404755-1;Z90344378;F0862-0120

Chemical Property of 5-(4-Methoxy-benzyl)-thiazol-2-ylamine

Chemical Property:

• Melting Point: 133-134 °C(Solv: chloroform (67-66-3); carbon tetrachloride (56-23-5))
• Boiling Point: 389.1±22.0 °C(Predicted)
• PKA: 5.11±0.10(Predicted)
• PSA: 76.38000
• Density: 1.238±0.06 g/cm3(Predicted)
• LogP: 2.90590
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.06703418
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

5-[(4-Methoxyphenyl)methyl]-2-thiazolamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC2=CN=C(S2)N
• Uses: 5-[(4-Methoxyphenyl)methyl]-2-thiazolamine is a reagent in the discovery of 2-Amino-5-arylmethyl-1,3-thiazole derivative as potential therapeutic agents for prostate cancer.

Technology Process of 5-(4-Methoxy-benzyl)-thiazol-2-ylamine

There total 7 articles about 5-(4-Methoxy-benzyl)-thiazol-2-ylamine 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: 78.0%

thiourea (17356-08-0) + 2-chloro-3-(4-methoxyphenyl)propanal (807667-27-2) → 5-[(4-methoxyphenyl)methyl]thiazol-2-amine (299953-06-3)

Guidance literature:

In ethanol; Heating;

DOI:10.1023/B:RUJO.0000034976.75646.85

Reference yield: 75.2%

2-bromo-3-(4-methoxyphenyl)propanal (915278-14-7) + thiourea (17356-08-0) → 5-[(4-methoxyphenyl)methyl]thiazol-2-amine (299953-06-3)

Guidance literature:

2-bromo-3-(4-methoxyphenyl)propanal; thiourea; In ethanol; for 1h; Reflux;

With sodium hydrogencarbonate; In water;

Reference yield: 61.0%

methoxybenzene (100-66-3) + (2-amino-1,3-thiazol-5-yl)methanol (131184-73-1) → 5-[(4-methoxyphenyl)methyl]thiazol-2-amine (299953-06-3)

Guidance literature:

methoxybenzene; (2-amino-1,3-thiazol-5-yl)methanol; With methanesulfonic acid; In nitromethane; at 80 ℃;

With ammonia; In methanol; nitromethane; at -20 ℃;

DOI:10.1021/ol902023g

upstream raw materials:

thiourea

2-chloro-3-(4-methoxyphenyl)propanal

para-methoxyphenyldiazonium chloride

methoxybenzene

Downstream raw materials:

N-[5-(4-methoxybenzyl)-1,3-thiazol-2-yl]chromane-3-carboxamide

N-[5-(4-methoxy-benzyl)-thiazol-2-yl]-3-phenyl-propionamide

2-chloro-N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]acetamide

N-[5-(4-methoxybenzyl)-1,3-thiazol-2-yl]heptanamide