4-(Chloromethyl)-5-methyl-2-(thiophen-2-yl)-1,3-oxazole

Base Information

• Chemical Name: 4-(Chloromethyl)-5-methyl-2-(thiophen-2-yl)-1,3-oxazole
• CAS No.: 202595-63-9
• Molecular Formula: C₉H₈ClNOS
• Molecular Weight: 213.688
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50408092
• Wikidata: Q82213460
• Mol file: 202595-63-9.mol

Synonyms:202595-63-9;4-(chloromethyl)-5-methyl-2-(thiophen-2-yl)-1,3-oxazole;4-(Chloromethyl)-5-methyl-2-(thiophen-2-yl)oxazole;4-(chloromethyl)-5-methyl-2-thien-2-yl-1,3-oxazole;4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole;Oxazole, 4-(chloromethyl)-5-methyl-2-(2-thienyl)-;SCHEMBL4028821;DTXSID50408092;PLUQESCJPNWDFO-UHFFFAOYSA-N;4-(CHLOROMETHYL)-5-METHYL-2-(2-THIENYL)-1,3-OXAZOLE;CIA59563;MFCD08691341;AKOS001289750;AS-68123;EU-0062871;EN300-26429;4-chloromethyl-5-methyl-2-(2-thienyl)oxazole;W13686;4-(chloromethyl)-5-methyl-2-(2-thienyl)oxazole;4-chloromethyl-5-methyl-2-thiophen-2-yl-oxazole;4-chloromethyl-5-methyl-2-thiophen-2yl-oxazole;J-013157;Z223030800

Chemical Property of 4-(Chloromethyl)-5-methyl-2-(thiophen-2-yl)-1,3-oxazole

Chemical Property:

• Vapor Pressure: 8.42E-05mmHg at 25°C
• Boiling Point: 351.3oC at 760 mmHg
• Flash Point: 166.2oC
• PSA: 54.27000
• Density: 1.301g/cm3
• LogP: 3.45030
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.0015127
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98% ^*data from raw suppliers

4-(Chloromethyl)-5-methyl-2-(thiophen-2-yl)oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(O1)C2=CC=CS2)CCl

Technology Process of 4-(Chloromethyl)-5-methyl-2-(thiophen-2-yl)-1,3-oxazole

There total 1 articles about 4-(Chloromethyl)-5-methyl-2-(thiophen-2-yl)-1,3-oxazole 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:

4,5-dimethyl-2-thiophen-2-yl-oxazole 3-oxide (37151-22-7) → 4-chloromethyl-5-methyl-2-thiophen-2-yl-oxazole (202595-63-9)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; for 14h; Reflux;

DOI:10.1016/j.bmcl.2011.03.020

Reference yield:

4-chloromethyl-5-methyl-2-thiophen-2-yl-oxazole (202595-63-9) + ethyl (E)-6-[(4-hydroxybenzyloxy)imino]-6-phenylhexanoate (250602-95-0) → (E)-6-(4-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methoxy}benzyloxyimino)-6-phenylhexanoic acid

Guidance literature:

Multi-step reaction with 2 steps

1: sodium chloride; potassium carbonate / water; N,N-dimethyl-formamide

2: hydrogenchloride; lithium hydroxide monohydrate; sodium chloride / tetrahydrofuran (6 ml)-water (4 ml)-ethanol

With hydrogenchloride; lithium hydroxide monohydrate; sodium chloride; potassium carbonate; In tetrahydrofuran (6 ml)-water (4 ml)-ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

4,5-dimethyl-2-thiophen-2-yl-oxazole 3-oxide