(alphaS)-alpha-Amino-N,N-diethylbenzenepropanamide

Base Information

• Chemical Name: (alphaS)-alpha-Amino-N,N-diethylbenzenepropanamide
• CAS No.: 40847-09-4
• Molecular Formula: C₁₃H₂₀N₂O
• Molecular Weight: 220.315
• DSSTox Substance ID: DTXSID401266625
• Mol file: 40847-09-4.mol

Synonyms:SCHEMBL9200374;DTXSID401266625;40847-09-4;(alphaS)-alpha-Amino-N,N-diethylbenzenepropanamide

Chemical Property of (alphaS)-alpha-Amino-N,N-diethylbenzenepropanamide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 220.157563266
• Heavy Atom Count: 16
• Complexity: 208

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)C(=O)C(CC1=CC=CC=C1)N
• Isomeric SMILES: CCN(CC)C(=O)[C@H](CC1=CC=CC=C1)N

Technology Process of (alphaS)-alpha-Amino-N,N-diethylbenzenepropanamide

There total 10 articles about (alphaS)-alpha-Amino-N,N-diethylbenzenepropanamide 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: 100.0%

[2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid 1-diethylcarbamoyl-2-phenyl-ethylcarbamoyloxymethyl ester (934548-16-0) → [2-(2,6-dichloroanilino)phenyl]acetic acid (15307-86-5) + N-(phenylalanyl)-N,N-diethylamine (40847-09-4)

Guidance literature:

With human plasma; In phosphate buffer; at 37 ℃; pH=7.4;

DOI:10.1002/ardp.200600145

Reference yield: 100.0%

2-(3-trifluoromethyl-phenylamino)-benzoic acid 1-diethylcarbamoyl-2-phenyl-ethylcarbamoyloxymethyl ester → flufenamic acid (530-78-9) + N-(phenylalanyl)-N,N-diethylamine (40847-09-4)

Guidance literature:

With human plasma; In phosphate buffer; at 37 ℃; pH=7.4;

DOI:10.1002/ardp.200600145

Reference yield: 95.0%

N,N-diethyl-(S)-2-(tert-butoxycarbonyl)amino-3-phenylpropanamide (120125-19-1) → N-(phenylalanyl)-N,N-diethylamine (40847-09-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1002/ardp.200600145

upstream raw materials:

[2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid 1-diethylcarbamoyl-2-phenyl-ethylcarbamoyloxymethyl ester

N,N-diethyl-(S)-2-(tert-butoxycarbonyl)amino-3-phenylpropanamide

(S)-N-[2-(chloromethyloxycarbonylamino)-3-phenylpropanoyl]-N,N-diethylamine

(S)-N-[2(chloromethyloxycarbonylamino)-3-phenylpropanoyl]piperidine

Downstream raw materials:

(S)-N-[2-(chloromethyloxycarbonylamino)-3-phenylpropanoyl]-N,N-diethylamine

(S)-N¹,N¹-diethyl-3-phenylpropane-1,2-diamine

Refernces

• 1、 Hu, Shenshen,Zhang, Long,Li, Jiuyuan,Luo, Sanzhong,Cheng, Jin-Pei. "Chiral primary amine catalyzed asymmetric direct cross-aldol reaction of acetaldehyde". experimental part. p. 3347 - 3352. Retrieved 2011/08/03.
• 2、 Ribeiro, Lina,Silva, Nuno,Iley, Jim,Rautio, Jarkko,Jaervinen, Tomi,Mota-Filipe, Helder,Moreira, Rui,Mendes, Eduarda. "Aminocarbonyloxymethyl ester prodrugs of flufenamic acid and diclofenac: Suppressing the rearrangement pathway in aqueous media". . p. 32 - 40. Retrieved 2007/10/03.