(+)-2-Amino-N-(2,6-dimethylphenyl)propanamide monohydrochloride

Base Information

• Chemical Name: (+)-2-Amino-N-(2,6-dimethylphenyl)propanamide monohydrochloride
• CAS No.: 53984-76-2
• Molecular Formula: C₁₁H₁₆N₂O*ClH
• Molecular Weight: 228.722
• UNII: WOY19CV59D
• Wikidata: Q27292755
• ChEMBL ID: CHEMBL3249953
• Mol file: 53984-76-2.mol

Synonyms:S-Tonocard;UNII-WOY19CV59D;WOY19CV59D;Tocainide S-(+)-form HCl;53984-76-2;Tocainide S-(+)-form hydrochloride;(+)-2-Amino-N-(2,6-dimethylphenyl)propanamide monohydrochloride;Propanamide, 2-amino-N-(2,6-dimethylphenyl)-, monohydrochloride, (+)-;(S)-tocainide hydrochloride;CHEMBL3249953;(2S)-2-amino-N-(2,6-dimethylphenyl)propanamide hydrochloride;TOCAINIDE HYDROCHLORIDE, (S)-;TOCAINIDE HYDROCHLORIDE, S-(+)-;TOCAINIDE S-(+)-FORM HYDROCHLORIDE [MI];EN300-26025493;Q27292755;(S)-(+)-2-AMINO-N-(2,6-DIMETHYLPHENYL)PROPANAMIDE HYDROCHLORIDE;PROPANAMIDE, 2-AMINO-N-(2,6-DIMETHYLPHENYL)-, HYDROCHLORIDE (1:1), (2S)-

Chemical Property of (+)-2-Amino-N-(2,6-dimethylphenyl)propanamide monohydrochloride

Chemical Property:

• Vapor Pressure: 0.00017mmHg at 25°C
• Melting Point: 264.5°
• Boiling Point: 330.1°Cat760mmHg
• Flash Point: 153.5°C
• PSA: 58.61000
• Density: g/cm³
• LogP: 3.74090
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.1029409
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

99%min ^*data from raw suppliers

S-(+)-TOCAINIDE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (+)-2-Amino-N-(2,6-dimethylphenyl)propanamide monohydrochloride

There total 5 articles about (+)-2-Amino-N-(2,6-dimethylphenyl)propanamide monohydrochloride 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:

ammonium carbamate + N-methyl-N-(o-tolyl)propionamide (3558-09-6) → tocainide hydrochloride (71395-14-7,35891-93-1,53984-74-0,53984-76-2)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In ammonium hydroxide; concentrated ammonia water;

Reference yield:

(-)-(S)-N2-(tert-butoxycarbonyl)-N1-(2,6-dimethylphenyl)alaninamide (86516-39-4) → (+)-Tocainide hydrochloride (35891-93-1,53984-74-0,53984-76-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.25h;

DOI:10.1021/jm061078e

Reference yield:

(+)-(R)-N2-(tert-butoxycarbonyl)-N1-(2,6-dimethylphenyl)alaninamide (151416-30-7) → (-)-Tocainide hydrochloride (35891-93-1,53984-74-0,53984-76-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.25h;

DOI:10.1021/jm061078e

upstream raw materials:

N-methyl-N-(o-tolyl)propionamide

(-)-(S)-N²-(tert-butoxycarbonyl)-N¹-(2,6-dimethylphenyl)alaninamide

2,6-dimethylaniline

(+)-(R)-N²-(tert-butoxycarbonyl)-N¹-(2,6-dimethylphenyl)alaninamide

Refernces

• 1、 Uysal,Calis,Soyer. "Synthesis and anticonvulsant activity of some 2/3- benzoylaminopropionanilide derivatives". experimental part. p. 295 - 300. Retrieved 2012/08/07.