Allyl-(4-phenyl-thiazol-2-yl)-amine

Base Information

• Chemical Name: Allyl-(4-phenyl-thiazol-2-yl)-amine
• CAS No.: 21344-73-0
• Molecular Formula: C12H12N2S
• Molecular Weight: 216.3
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID00365166
• Nikkaji Number: J3.086.342I
• Wikidata: Q82149614
• Mol file: 21344-73-0.mol

Synonyms:21344-73-0;Allyl-(4-phenyl-thiazol-2-yl)-amine;N-Allyl-4-phenylthiazol-2-amine;4-phenyl-N-prop-2-enyl-1,3-thiazol-2-amine;4-phenyl-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine;CBMicro_036898;N-allyl-N-(4-phenyl-1,3-thiazol-2-yl)amine;Cambridge id 5911733;Oprea1_291874;Oprea1_727110;SCHEMBL38629;2-allylamino-4-phenylthia-zole;DTXSID00365166;HMS1676H21;N-Allyl-4-phenylthiazole-2-amine;STK793162;AKOS000273555;CCG-236541;4-Phenyl-N-2-propen-1-yl-2-thiazolamine;BIM-0036878.P001;CS-0220084;EN300-05727;AI-020/34278028;SR-01000509785;SR-01000509785-1;Z48852773

Chemical Property of Allyl-(4-phenyl-thiazol-2-yl)-amine

Chemical Property:

• Vapor Pressure: 2.71E-05mmHg at 25°C
• Melting Point: 73 °C(Solv: ethanol (64-17-5))
• Boiling Point: 357.5°C at 760 mmHg
• PKA: 3.86±0.10(Predicted)
• Flash Point: 170°C
• PSA: 56.39000
• Density: 1.169g/cm³
• LogP: 2.82990
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 216.07211956
• Heavy Atom Count: 15
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

4-phenyl-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC1=NC(=CS1)C2=CC=CC=C2

Technology Process of Allyl-(4-phenyl-thiazol-2-yl)-amine

There total 5 articles about Allyl-(4-phenyl-thiazol-2-yl)-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: 75.0%

Allylthiourea (109-57-9) + acetophenone (98-86-2) → N-allyl-4-phenylthiazol-2-amine (21344-73-0)

Guidance literature:

acetophenone; With bromine; urea; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

Allylthiourea; In N,N-dimethyl-formamide; at 20 - 80 ℃; for 26h;

DOI:10.1023/A:1010477022450

Reference yield: 72.0%

allylamine acetate + potassium thioacyanate (333-20-0) + α-bromoacetophenone (70-11-1) → N-allyl-4-phenylthiazol-2-amine (21344-73-0)

Guidance literature:

With aluminum oxide; silica gel; In benzene; at 80 ℃; for 6h;

DOI:10.1016/j.tet.2006.01.075

Reference yield:

C4H8N2S + α-bromoacetophenone (70-11-1) → N-allyl-4-phenylthiazol-2-amine (21344-73-0)

Guidance literature:

In water; acetonitrile; at 20 ℃; for 0.25h;

DOI:10.1016/j.tetlet.2020.152164

upstream raw materials:

Allylthiourea

α-bromoacetophenone

acetophenone

potassium thioacyanate