4-(Trifluoromethyl)oxazol-2-amine

Base Information

• Chemical Name: 4-(Trifluoromethyl)oxazol-2-amine
• CAS No.: 35629-71-1
• Molecular Formula: C4H3F3N2O
• Molecular Weight: 152.07
• Hs Code.: 2934999090
• European Community (EC) Number: 639-425-7
• DSSTox Substance ID: DTXSID60376798
• Nikkaji Number: J1.088.414D
• Wikidata: Q72442783
• Mol file: 35629-71-1.mol

Synonyms:35629-71-1;4-(trifluoromethyl)oxazol-2-amine;2-Amino-4-trifluoromethyloxazole;4-(trifluoromethyl)-1,3-oxazol-2-amine;4-Trifluoromethyl-oxazol-2-ylamine;2-amino-4-(trifluoromethyl)oxazole;2-Oxazolamine, 4-(trifluoromethyl)-;MFCD07777221;SCHEMBL2374152;DTXSID60376798;4-(Trifluoromethyl)oxazole-2-amine;AKOS005255409;AB42401;CS-W006806;DS-2971;FS-2031;s10216;[4-(trifluoromethyl)-oxazol-2-yl]-amine;4-(trifluoromethyl)-1,3-oxazole-2-amine;2-amino-4-trifluoromethyloxazole, AldrichCPR;AM20090563;FT-0685287;EN300-97654;A18683;J-513927;Z939904642

Chemical Property of 4-(Trifluoromethyl)oxazol-2-amine

Chemical Property:

• Vapor Pressure: 4.7mmHg at 25°C
• Refractive Index: 1.325
• Boiling Point: 183.438 °C at 760 mmHg
• PKA: 2.03±0.10(Predicted)
• Flash Point: 64.742 °C
• PSA: 52.05000
• Density: 1.502g/cm³
• LogP: 1.85680
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 152.01974721
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

4-(Trifluoromethyl)oxazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F,T
• Statements: 36/37/38-43-36-25
• Safety Statements: 26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(O1)N)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)oxazol-2-amine

There total 2 articles about 4-(Trifluoromethyl)oxazol-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: 70.0%

3-bromo-1,1,1-trifluoroacetone (431-35-6) + urea (57-13-6) → 4-(trifluoromethyl)-1,3-oxazol-2-amine (35629-71-1)

Guidance literature:

In tert-butyl alcohol; for 8h; Reflux;

DOI:10.1016/j.bmcl.2009.01.108

Reference yield:

→ 4-(trifluoromethyl)-1,3-oxazol-2-amine (35629-71-1)

Guidance literature:

Bromtrifluoraceton, Harnstoff;

Reference yield: 37.0%

(R)-(-)-2-(4-trifluoromethanesulfonyloxy)phenylpropionic acid (533931-60-1) + 4-(trifluoromethyl)-1,3-oxazol-2-amine (35629-71-1) → 4-[(2R)-1-oxo-1-{[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino}propan-2-yl]phenyl trifluoromethanesulfonate (1330128-62-5)

Guidance literature:

(R)-(-)-2-(4-trifluoromethanesulfonyloxy)phenylpropionic acid; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

4-(trifluoromethyl)-1,3-oxazol-2-amine; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

DOI:10.1021/ml2001533

upstream raw materials:

3-bromo-1,1,1-trifluoroacetone

urea

Downstream raw materials:

2-Acetamido-4-trifluormethyloxazol

4-[(2R)-1-oxo-1-{[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino}propan-2-yl]phenyl trifluoromethanesulfonate

6-methyl-2-(4-(trifluoromethyl)cyclohexyl)-3-(4-(trifluoromethyl)oxazol-2-yl)pyrimidin-4(3H)-one

Refernces

• 1、 Vieira, Eric,Huwyler, Joerg,Jolidon, Synese,Knoflach, Frederic,Mutel, Vincent,Wichmann, Juergen. "Fluorinated 9H-xanthene-9-carboxylic acid oxazol-2-yl-amides as potent, orally available mGlu1 receptor enhancers". scheme or table. p. 1666 - 1669. Retrieved 2009/11/30.