2-Methylnaphth[2,1-d]oxazole

Base Information

• Chemical Name: 2-Methylnaphth[2,1-d]oxazole
• CAS No.: 20686-65-1
• Molecular Formula: C12H9NO
• Molecular Weight: 183.21
• Hs Code.: 29349990
• European Community (EC) Number: 243-971-8
• DSSTox Substance ID: DTXSID2066642
• Nikkaji Number: J225.303H
• Wikidata: Q72493275
• ChEMBL ID: CHEMBL1617598
• Mol file: 20686-65-1.mol

Synonyms:20686-65-1;2-Methylnaphth[2,1-d]oxazole;2-Methylnaphtho(2,1-d)oxazole;2-Methylnaphtho[2,1-d]oxazole;Naphth[2,1-d]oxazole, 2-methyl-;2-methylbenzo[g][1,3]benzoxazole;2-Methylnaphth(2,1-d)oxazole;EINECS 243-971-8;Naphth(2,1-d)oxazole, 2-methyl-;2-Methyl[1,2-d]naphthoxazole;SCHEMBL2490973;CHEMBL1617598;DTXSID2066642;MFCD00022185;AKOS015914381;AC-24516;AS-14262;CS-0130261;EU-0076253;FT-0638030;M1290;M2559;T72057;A814813

Chemical Property of 2-Methylnaphth[2,1-d]oxazole

Chemical Property:

• Appearance/Colour: clear yellow-brown to orange-brown liquid
• Vapor Pressure: 0.000565mmHg at 25°C
• Melting Point: 37 °C
• Refractive Index: 1.634-1.637
• Boiling Point: 321.3 °C at 760 mmHg
• PKA: 2.16±0.30(Predicted)
• Flash Point: 131.1 °C
• PSA: 26.03000
• Density: 1.221 g/cm³
• LogP: 3.28940
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.068413911
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methylnaphth[2,1-d]oxazole ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(O1)C3=CC=CC=C3C=C2

Technology Process of 2-Methylnaphth[2,1-d]oxazole

There total 10 articles about 2-Methylnaphth[2,1-d]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: 94.0%

1-(1-hydroxynaphthalen-2-yl)ethan-1-one oxime (51864-09-6) → 2-methyloxazolo<4,5-a>naphthalene (20686-65-1)

Guidance literature:

With diethyl chlorophosphate; In toluene; for 0.166667h; Reflux;

DOI:10.1055/s-2008-1072767

Reference yield: 70.0%

2-nitro-1-naphthol (607-24-9) + potassium thioacetate (10387-40-3) → 2-methyloxazolo<4,5-a>naphthalene (20686-65-1)

Guidance literature:

In N,N-dimethyl-formamide; at 130 ℃; for 3h; Product distribution / selectivity;

Reference yield:

1-acetoxy-2-acetylamino-naphthalene (857945-08-5) → 2-methyloxazolo<4,5-a>naphthalene (20686-65-1)

Guidance literature:

at 80 ℃; under 0.1 Torr;

DOI:10.1039/j39680001937

upstream raw materials:

1-acetoxy-2-acetylamino-naphthalene

2-azidonaphthalene

acetic acid

2-nitro-1-naphthol

Downstream raw materials:

1,3-bis-(3-ethyl-naphth[2,1-d]oxazol-2-yl)-trimethinium ; bromide

2-Methyl-α-naphthoxazol-ethojodid

2-styryl-naphtho[2,1-d]oxazole

2-[(E)-2-(4-Nitro-phenyl)-vinyl]-1-oxa-3-aza-cyclopenta[a]naphthalene

Refernces

• 1、 Li, Zhen,Fang, Chengtao,Zheng, Yannan,Qiu, Guanyinsheng,Li, Xiaofang,Zhou, Hongwei. "Multicatalytic Beckmann rearrangement of 2-hydroxylarylketone oxime: Switchable synthesis of benzo[d]oxazoles and N-(2-hydroxylaryl)amides". . p. 3934 - 3937. Retrieved 2018/10/02.
• 2、 Bhattacharya, Apurba,Purohit, Vikram C.,Suarez, Victor,Tichkule, Ritesh,Parmer, Gaurang,Rinaldi, Frank. "One-step reductive amidation of nitro arenes: Application in the synthesis of Acetaminophen". . p. 1861 - 1864. Retrieved 2007/10/03.