2-Ethylbenzamide

Base Information

• Chemical Name: 2-Ethylbenzamide
• CAS No.: 67832-97-7
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID70570826
• Nikkaji Number: J502.681D
• Wikidata: Q82458378
• Mol file: 67832-97-7.mol

Synonyms:2-Ethylbenzamide;67832-97-7;Benzamide, 2-ethyl-;Athylbenzamid;Benzamide, 2-ethyl- (9CI);2-Ethyl-benzamide;SCHEMBL162322;DTXSID70570826;MFCD18824517;AKOS006339975;EN300-140487;G47251;Z1203580417

Chemical Property of 2-Ethylbenzamide

Chemical Property:

• Melting Point: 151-152 °C
• Boiling Point: 272.6±19.0 °C(Predicted)
• PKA: 16.01±0.50(Predicted)
• PSA: 44.08000
• Density: 1.058±0.06 g/cm3(Predicted)
• LogP: 2.23210
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

2-ethylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1C(=O)N

Technology Process of 2-Ethylbenzamide

There total 8 articles about 2-Ethylbenzamide 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%

carbon monoxide (201230-82-2) + 1-ethyl-2-iodobenzene (18282-40-1) → 2-ethylbenzamide (67832-97-7)

Guidance literature:

With ammonium hydroxide; 1,3,5,7-tetramethyl-2,4,8-trioxa-6-phenyl-6-phosphaadamantane; palladium diacetate; In toluene; at 130 ℃; under 5171.62 Torr; Temperature; Autoclave;

DOI:10.1016/j.tetlet.2013.07.143

Reference yield: 96.0%

→ 2-ethylbenzamide (67832-97-7)

Guidance literature:

With tetrabutylammomium bromide; ammonia; caesium carbonate; In water; for 0.333333h; Microwave irradiation;

Reference yield: 85.0%

2-ethylbenzaldehyde (22927-13-5) → 2-ethylbenzamide (67832-97-7)

Guidance literature:

With C₁₇H₁₇BrClN₂RuSe⁽¹⁺⁾*F₆P^(1-); hydroxylamine hydrochloride; sodium hydroxide; In toluene; at 100 ℃; for 12h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1016/j.jorganchem.2018.09.019

upstream raw materials:

o-ethylbenzonitrile

2-ethylbenzoyl chloride

2-ethylbenzoic acid

carbon monoxide

Downstream raw materials:

o-ethylbenzonitrile

2-ethyl-thiobenzoic acid amide

2-(1,1-difluoroethyl)benzamide

Refernces

• 1、 Sharma, Kamal Nayan,Ali, Munsaf,Srivastava, Avinash Kumar,Joshi, Raj Kumar. "(η6-Benzene)Ru(II) half-sandwich complexes of pyrazolated chalcogenoethers for catalytic activation of aldehydes to amides transformation". . p. 69 - 77. Retrieved 2018/11/10.
• 2、 Deglopper, Kimberly S.,Fodor, Sarah K.,Endean, Thomas B.D.,Johnson, Jeffrey B.. "Decarbonylative cross coupling of phthalimides with diorganozinc reagents - Efforts toward catalysis". supporting information. p. 393 - 398. Retrieved 2016/07/06.