Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-

Base Information

• Chemical Name: Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-
• CAS No.: 4273-88-5
• Molecular Formula: C13H14N2O3S
• Molecular Weight: 278.332
• Hs Code.: 2934999090
• European Community (EC) Number: 224-269-0
• NSC Number: 59998
• DSSTox Substance ID: DTXSID3063384
• Nikkaji Number: J73.278H
• Mol file: 4273-88-5.mol

Synonyms:4273-88-5;Naphtoelan;Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-;Naphtazol JLE;2-Acetoacetamido-6-Ethoxybenzothiazole;Cibanaphthol LT4G;Amanil Naphthol AS-L4G;Naphtol AS-L4G;Daito Grounder L4G;Azoic coupling component 9;Naphthol AS-L 4G;N-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-oxobutanamide;Acetoacetamide, N-(6-ethoxy-2-benzothiazolyl)-;C.I. 37625;NSC59998;EINECS 224-269-0;NSC 59998;N-(6-Ethoxybenzothiazol-2-yl)acetoacetamide;DTXSID3063384;SCHEMBL10576093;NSC-59998;AKOS005773740;2-acetoacetamido-6-ethoxybenzo[d]thiazole;C.I.37625;FT-0762853;N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-oxo-butanamide

Chemical Property of Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 96.53000
• Density: 1.325g/cm³
• LogP: 2.68560
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 278.07251349
• Heavy Atom Count: 19
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

2-ACETOACETAMIDO-6-ETHOXYBENZOTHIAZOLE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC(=O)C

Technology Process of Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-

There total 2 articles about Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo- 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: 41.0%

2-Amino-6-ethoxybenzothiazole (94-45-1) + 2,2,6-trimethyl-4H-1,3-dioxin-4-one (5394-63-8) → N-(6-ethoxy-2-benzothiazolyl)-3-oxobutanamide (4273-88-5)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; Reflux;

DOI:10.1016/j.bmc.2013.09.033

Reference yield:

→ N-(6-ethoxy-2-benzothiazolyl)-3-oxobutanamide (4273-88-5)

Guidance literature:

/BRN= 239970/;

Reference yield: 80.0%

N-(6-ethoxy-2-benzothiazolyl)-3-oxobutanamide (4273-88-5) + benzaldehyde (100-52-7) + urea (57-13-6) → 6-methyl-5-N-(6-ethoxy-2-benzothiazolyl)carbamoyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one

Guidance literature:

With iron(III) chloride; In acetonitrile; for 24h; Reflux;

DOI:10.2174/1570180814666170306120235

upstream raw materials:

2-Amino-6-ethoxybenzothiazole

2,2,6-trimethyl-4H-1,3-dioxin-4-one

Downstream raw materials:

2-(2,5-dichloro-phenylhydrazono)-N-(6-ethoxy-benzothiazol-2-yl)-3-oxo-butyramide

Refernces

• 1、 Moosavi, Fatemeh,Ebadi, Ahmad,Mohabbati, Maryam,Damghani, Tahereh,Mortazavi, Motahareh,Miri, Ramin,Firuzi, Omidreza. "Antiproliferative effect, alteration of cancer cell cycle progression and potential MET kinase inhibition induced by 3,4-dihydropyrimidin-2(1H)-one C5 amide derivatives". . . Retrieved 2021/01/19.