2-benzamidoethyl Benzoate

Base Information

• Chemical Name: 2-benzamidoethyl Benzoate
• CAS No.: 16180-99-7
• Molecular Formula: C16H15NO3
• Molecular Weight: 269.3
• ChEMBL ID: CHEMBL1896875
• DSSTox Substance ID: DTXSID00408623
• Nikkaji Number: J764.621F
• Mol file: 16180-99-7.mol

Synonyms:2-benzamidoethyl Benzoate;16180-99-7;Benzoic acid 2-benzoylamino-ethyl ester;MLS001360415;SMR001224023;Benzamide, N-[2-(benzoyloxy)ethyl]-;CHEMBL1896875;SCHEMBL13100724;BDBM94328;cid_5131781;DTXSID00408623;benzoic acid 2-benzamidoethyl ester;AKOS003244503;CS-0447609;A1-01278

Chemical Property of 2-benzamidoethyl Benzoate

Chemical Property:

• PSA: 58.89000
• LogP: 2.84820
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 269.10519334
• Heavy Atom Count: 20
• Complexity: 318

Purity/Quality:

Benzoicacid2-benzoylamino-ethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NCCOC(=O)C2=CC=CC=C2

Technology Process of 2-benzamidoethyl Benzoate

There total 27 articles about 2-benzamidoethyl Benzoate 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: 96.0%

N-(2-hydroxyethyl)-benzamide (18838-10-3) + benzoyl chloride (98-88-4) → 2-benzamidoethyl benzoate (16180-99-7)

Guidance literature:

With copper(I) triflate; (S,S)-2,2'-isopropylidenebis(4-phenyl-2-oxazoline); potassium carbonate; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2006.09.049

Reference yield: 95.0%

benzoyl chloride (98-88-4) + ethanolamine (141-43-5) → 2-benzamidoethyl benzoate (16180-99-7)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1055/s-0039-1690822

Reference yield: 87.0%

S-(benzoxazol-2-yl) thiobenzolate (17688-44-7) + ethanolamine (141-43-5) → 2-benzamidoethyl benzoate (16180-99-7)

Guidance literature:

With triethylamine; In various solvent(s); at 15 ℃; for 72h;

DOI:10.1055/s-1981-29674

upstream raw materials:

dimethylenecyclourethane

benzoic acid

2-phenyl-1,3-oxazoline

benzoyl chloride

Downstream raw materials:

2-phenyl-2,5-dihydrothiazole

N-(2-hydroxyethyl)-benzamide

2-phenylthiazoline

N-(2-hydroxyethyl)benzothioamide

Refernces

• 1、 Ibrahim, Mansur B.,Malik, Imran,Shakil Hussain,Fazal, Atif,Fettouhi, Mohammed,El Ali, Bassam. "Synthesis, crystal structures and catalytic activities of new palladium(II)–bis(oxazoline) complexes". . p. 739 - 749. Retrieved 2016/09/13.
• 2、 Nechab, Malek,Kumar, Dhondi Naveen,Philouze, Christian,Einhorn, Cathy,Einhorn, Jacques. "Variable C2-symmetric analogues of N-hydroxyphthalimide as enantioselective catalysts for aerobic oxidation: Kinetic resolution of oxazolidines". . p. 3080 - 3083. Retrieved 2008/03/11.