4,5-Dimethyl-1,3-oxazol-2(3h)-one

Base Information

• Chemical Name: 4,5-Dimethyl-1,3-oxazol-2(3h)-one
• CAS No.: 59167-68-9
• Molecular Formula: C₅H₇NO₂
• Molecular Weight: 113.116
• European Community (EC) Number: 946-552-4
• NSC Number: 129749
• DSSTox Substance ID: DTXSID10299367
• Wikidata: Q82041729

Synonyms:59167-68-9;4,5-dimethyl-1,3-oxazol-2(3h)-one;4,5-dimethyl-3H-1,3-oxazol-2-one;4,5-Dimethyloxazol-2(3H)-one;4,5-dimethyl-2,3-dihydro-1,3-oxazol-2-one;2(3H)-Oxazolone, 4,5-dimethyl-;NSC129749;SCHEMBL6937532;SCHEMBL11443223;DTXSID10299367;MFCD19982731;AKOS025142141;AT18454;NSC-129749;BS-40424;CS-0238706;EN300-199697;4,5-Dimethyl-1,3-oxazol-2(3H)-one, AldrichCPR

Chemical Property of 4,5-Dimethyl-1,3-oxazol-2(3h)-one

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Boiling Point: 247.7°C at 760 mmHg
• Flash Point: 103.6°C
• Density: 1.113g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.047678466
• Heavy Atom Count: 8
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC(=O)N1)C

Technology Process of 4,5-Dimethyl-1,3-oxazol-2(3h)-one

There total 3 articles about 4,5-Dimethyl-1,3-oxazol-2(3h)-one 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:

urethane (51-79-6) → 4,5-dimethyl-3H-oxazol-2-one (59167-68-9)

Guidance literature:

In N-methyl-acetamide; acetone;

Reference yield:

potassium cyanate (590-28-3) + 3-hydroxy-2-butanon (513-86-0,52217-02-4,51555-24-9) → 4,5-dimethyl-3H-oxazol-2-one (59167-68-9)

Guidance literature:

With hydrogenchloride; In N,N-dimethyl-formamide; 1) 120 deg C, 2) 135 deg C, 2 h;

DOI:10.1021/jo00009a025

Reference yield:

3-hydroxy-2-butanon (513-86-0,52217-02-4,51555-24-9) + urethane (51-79-6) → 4,5-dimethyl-3H-oxazol-2-one (59167-68-9)

Guidance literature:

With N,N-dimethyl-formamide;

DOI:10.1021/jo01104a618

upstream raw materials:

3-hydroxy-2-butanon

urethane

potassium cyanate

Downstream raw materials:

N-(benzyl)-4,5-dimethyl-4-oxazolin-2-one

4,5-dimethyl-2-oxo-oxazole-3-carboxylic acid anilide

4,5-dimethyl-3H-oxazole-2-thione

3,4,5-Trimethyl-oxazolin-2-thion

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