5-Chloro-2-methylbenzoxazole

Base Information

• Chemical Name: 5-Chloro-2-methylbenzoxazole
• CAS No.: 19219-99-9
• Molecular Formula: C8H6ClNO
• Molecular Weight: 167.595
• Hs Code.: 29349990
• European Community (EC) Number: 242-888-4
• NSC Number: 26192
• DSSTox Substance ID: DTXSID8051831
• Nikkaji Number: J36.853I
• Wikidata: Q72453778
• Mol file: 19219-99-9.mol

Synonyms:5-chloro-2-methylbenzoxazole

Chemical Property of 5-Chloro-2-methylbenzoxazole

Chemical Property:

• Appearance/Colour: Beige crystalline chunks
• Vapor Pressure: 0.0552mmHg at 25°C
• Melting Point: 55-57 °C(lit.)
• Refractive Index: 1.608
• Boiling Point: 241.6 °C at 760 mmHg
• PKA: -0.45±0.10(Predicted)
• Flash Point: 99.9 °C
• PSA: 26.03000
• Density: 1.311 g/cm³
• LogP: 2.78960
• Storage Temp.: Store below +30°C.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.0137915
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-methylbenzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 20/21/22-34-36/37/38-37/38-36
• Safety Statements: 26-27-36/37/39-45-36/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(O1)C=CC(=C2)Cl

Technology Process of 5-Chloro-2-methylbenzoxazole

There total 22 articles about 5-Chloro-2-methylbenzoxazole 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: 97.0%

Triethyl orthoacetate (78-39-7) + 2-hydroxy-5-chloro-aniline (95-85-2) → 2-methyl-5-chlorobenzoxazole (19219-99-9)

Guidance literature:

With tungstate sulfuric acid; In neat (no solvent); at 80 - 90 ℃; for 0.116667h; Reagent/catalyst;

DOI:10.1016/j.crci.2013.03.009

Reference yield: 96.0%

Triethyl orthoacetate (78-39-7) + 2-hydroxy-5-chloro-aniline (95-85-2) → 2-methyl-5-chlorobenzoxazole (19219-99-9)

Guidance literature:

With 1-(propyl-3-sulfonate) 3-methylimidazol(3H)-1-ium phosphotungstate; In water; at 20 ℃; for 0.183333h; Reagent/catalyst; Time;

DOI:10.2174/1386207311316080004

Reference yield: 96.0%

Trimethyl orthoacetate (1445-45-0) + 2-hydroxy-5-chloro-aniline (95-85-2) → 2-methyl-5-chlorobenzoxazole (19219-99-9)

Guidance literature:

With 1-(propyl-3-sulfonate) 3-methylimidazol(3H)-1-ium phosphotungstate; In water; at 20 ℃; for 0.216667h; Reagent/catalyst; Time;

DOI:10.2174/1386207311316080004

upstream raw materials:

acetamide

2-hydroxy-5-chloro-aniline

N-(5-chloro-2-hydroxyphenyl)acetamide

4-chloro-2-ethylideneamino-phenol

Downstream raw materials:

C₁₅H₉BrClNO

C₁₆H₁₂ClNO₂

C₁₆H₁₂ClNO₂

2-methyl-5-phenylbenzo[d]oxazole

Refernces

• 1、 Kummari, Vijaya Babu,Chiranjeevi, Kalavakuntla,Suman Kumar, Alleni,Kumar, Rathod Aravind,Yadav, Jhillu Singh. "Metal free montmorillonite KSF clay catalyzed practical synthesis of benzoxazoles and benzothiazoles under aerobic conditions". supporting information. p. 3335 - 3342. Retrieved 2019/11/11.
• 2、 Bhagat, Saket B,Ghodse, Shrikant M,Telvekar, Vikas N. "Sodium dichloroiodate promoted C-C bond cleavage: An efficient synthesis of 1,3-Benzazoles via condensation of o -amino/mercaptan/hydroxyanilines with β -diketones". . . Retrieved 2018/02/09.