2-Phenyl-1,3-oxazole-4-carbaldehyde

Base Information

• Chemical Name: 2-Phenyl-1,3-oxazole-4-carbaldehyde
• CAS No.: 20771-08-8
• Molecular Formula: C₁₀H₇NO₂
• Molecular Weight: 173.171
• European Community (EC) Number: 844-562-2
• DSSTox Substance ID: DTXSID10574040
• Nikkaji Number: J1.387.822F
• Wikidata: Q82462925
• Mol file: 20771-08-8.mol

Synonyms:20771-08-8;2-phenyl-1,3-oxazole-4-carbaldehyde;2-Phenyloxazole-4-carbaldehyde;2-PHENYL-OXAZOLE-4-CARBALDEHYDE;4-Oxazolecarboxaldehyde, 2-phenyl-;2-PHENYLOXAZOLE-4-CARBOXALDEHYDE;SCHEMBL2130891;DTXSID10574040;SMJNJCYAIKTNKK-UHFFFAOYSA-N;AMY29167;MFCD06738551;AKOS006228933;AB27360;BS-16556;2-phenyl-oxazole-4-carbaldehyde, AldrichCPR;CS-0156383;EN300-72448;D70745;A814867;Z1079167846

Chemical Property of 2-Phenyl-1,3-oxazole-4-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.047678466
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

2-Phenyl-oxazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=CO2)C=O

Technology Process of 2-Phenyl-1,3-oxazole-4-carbaldehyde

There total 21 articles about 2-Phenyl-1,3-oxazole-4-carbaldehyde 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: 83.0%

C10H9I2NO2 → 2-phenyl-1,3-oxazole-4-carbaldehyde (20771-08-8)

Guidance literature:

With Martins sulfurane; In chloroform; at 20 ℃;

DOI:10.1039/c5cc05715a

Reference yield:

2-azido-1-phenylethan-1-one (1816-88-2) → 2-phenyl-1,3-oxazole-4-carbaldehyde (20771-08-8) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 10 - 95 ℃;

DOI:10.1002/ejoc.201201269

Reference yield:

α-bromoacetophenone (70-11-1) → 2-phenyl-1,3-oxazole-4-carbaldehyde (20771-08-8) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium azide / N,N-dimethyl-formamide / 0.5 h / 10 - 15 °C

2: trichlorophosphate / N,N-dimethyl-formamide / 10 - 95 °C

With sodium azide; trichlorophosphate; In N,N-dimethyl-formamide; 2: |Vilsmeier Reaction;

DOI:10.1002/ejoc.201201269

upstream raw materials:

2-phenyl-1,3-oxazole-4-carbonyl chloride

(1S,2R)-1-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2-(2-phenyl-oxazol-4-yl)-ethane-1,2-diol

4-chloromethyl-2-phenyl-oxazole

5-bromo-2-phenyl-oxazole-4-carbaldehyde

Downstream raw materials:

4-(2-nitro-propenyl)-2-phenyl-oxazole

4-(2-nitro-vinyl)-2-phenyl-oxazole

3-(2-phenyl-oxazol-4-yl)-acrylic acid

2-Benzamido-3-dimethylaminoacrolein