2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
• CAS No.: 35773-42-3
• Deprecated CAS: 700866-74-6
• Molecular Formula: C20H18 N2 O3
• Molecular Weight: 334.375
• Hs Code.: 2934999090
• European Community (EC) Number: 252-721-7
• DSSTox Substance ID: DTXSID3067940
• Nikkaji Number: J260.681J
• Wikidata: Q81994623
• ChEMBL ID: CHEMBL210065
• Mol file: 35773-42-3.mol

Synonyms:35773-42-3;2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-;3-(Benzoxazol-2-yl)-7-(diethylamino)-2-benzopyrone;EMI1;3-(1,3-benzoxazol-2-yl)-7-(diethylamino)-2H-chromen-2-one;EMI1 (EGFR MaMTH Inhibitor 1);EINECS 252-721-7;3-(Benzoxazolyl-2')-7-diethylaminocoumarin;3-(1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one;Probes1_000034;Probes2_000170;Oprea1_339712;Oprea1_741108;CBDivE_006515;SCHEMBL869636;CHEMBL210065;DTXSID3067940;3-(2-benzoxazolyl)-7-(diethylamino)-2h-1-benzopyran-2-one;HMS1578O17;STK386372;AKOS001028797;SDCCGSBI-0087014.P001;HY-138072;7-Diethylamino-3-(benzoxazole-2-yl)coumarin;CS-0144250;7-(diethylamino)-3-(benzoxazol-2-yl)coumarin;SR-01000395140;SR-01000395140-1;2H-1-Benzopyran-2-one, 2-(benzoxazolyl)-7-(diethylamino)-

Chemical Property of 2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-

Chemical Property:

• Vapor Pressure: 3.46E-12mmHg at 25°C
• Refractive Index: 1.658
• Boiling Point: 551°Cat760mmHg
• Flash Point: 287°C
• PSA: 59.48000
• Density: 1.284g/cm³
• LogP: 4.44740
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 334.13174244
• Heavy Atom Count: 25
• Complexity: 531

Purity/Quality:

98%Min ^*data from raw suppliers

EMI1(EGFRMaMTHInhibitor1) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3

Technology Process of 2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-

There total 10 articles about 2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)- 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: 88.0%

ethyl 7-diethylaminocoumarin-3-carboxylate (28705-46-6) + 2-amino-phenol (95-55-6) → 3-(2-benzoxazolyl)-7-(diethylamino)-2H-1-benzopyran-2-one (35773-42-3)

Guidance literature:

With dichloro N,N’-(1,2-phenylene)bis(2-aminobenzamide) cobalt(II) functionalized mesoporous Al-SBA-15 nanocatalyst; In ethanol; for 1.08333h; Reflux; Green chemistry;

DOI:10.1080/00958972.2019.1591618

Reference yield: 85.0%

4-(Diethylamino)salicylaldehyde (17754-90-4) + ethyl 2-cyanoacetate (105-56-6) + 2-amino-phenol (95-55-6) → 3-(2-benzoxazolyl)-7-(diethylamino)-2H-1-benzopyran-2-one (35773-42-3)

Guidance literature:

With benzoic acid; In pentan-1-ol; at 110 ℃; for 0.05h; Microwave irradiation;

DOI:10.1080/00397910903026699

Reference yield: 60.0%

4-(Diethylamino)salicylaldehyde (17754-90-4) + 2-amino-phenol (95-55-6) + diethyl malonate (105-53-3) → 3-(2-benzoxazolyl)-7-(diethylamino)-2H-1-benzopyran-2-one (35773-42-3)

Guidance literature:

With pyrophosphoric acid; at 100 ℃; for 0.1h; Microwave irradiation;

DOI:10.1080/00397910903026699

upstream raw materials:

4-(Diethylamino)salicylaldehyde

ethyl 2-cyanoacetate

2-amino-phenol

diethyl malonate