Desthienylethyl rotigotine

Base Information

• Chemical Name: Desthienylethyl rotigotine
• CAS No.: 101470-23-9
• Molecular Formula: C13H19NO
• Molecular Weight: 205.3
• Hs Code.: 2922299090
• European Community (EC) Number: 800-424-3
• UNII: S0A0O2B54C
• DSSTox Substance ID: DTXSID30436893
• Wikidata: Q27288390
• Mol file: 101470-23-9.mol

Synonyms:101470-23-9;Desthienylethyl rotigotine;(6S)-5,6,7,8-Tetrahydro-6-(propylamino)-1-naphthalenol;(-)-5-Hydroxy-N-n-propyl-2-aminotetralin;1-Naphthalenol, 5,6,7,8-tetrahydro-6-(propylamino)-, (6S)-;UNII-S0A0O2B54C;S0A0O2B54C;(S)-6-(Propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;(6S)-(-)-5-Hydroxy-N-propyl-2-aminotetralin;(6S)-6-(PROPYLAMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL;(S)-(-)-5-Hydroxy-N-n-propyl-2-aminotetralin;SCHEMBL1682783;DTXSID30436893;VCYPZWCFSAHTQT-NSHDSACASA-N;AKOS022174929;ROTIGOTINE IMPURITY B [EP IMPURITY];(S)-5,6,7,8-tetrahydro-6-propylamino-1-naphthol;J-000401;(S)-6-propylamino-5,6,7,8-tetrahydro-l-naphthalenol;Q27288390;(-)-(6-PROPYLAMINO)-5,6,7,8-TETRAHYDRO-NAPHTHALEN-1-OL

Chemical Property of Desthienylethyl rotigotine

Chemical Property:

• Boiling Point: 341.5±42.0 °C(Predicted)
• PKA: 9.96±0.20(Predicted)
• PSA: 32.26000
• Density: 1.07±0.1 g/cm3(Predicted)
• LogP: 2.64000
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.146664230
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

(6S)-5,6,7,8-Tetrahydro-6-(propylamino)-1-naphthalenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC1CCC2=C(C1)C=CC=C2O
• Isomeric SMILES: CCCN[C@H]1CCC2=C(C1)C=CC=C2O
• Uses: A substituted tetralin used in the production of antiparkinson medications As a substituted tetralin, (6S)-5,6,7,8-Tetrahydro-6-(propylaMino)-1-naphthalenol is used in the production of antiparkinson medications

Technology Process of Desthienylethyl rotigotine

There total 14 articles about Desthienylethyl rotigotine 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: 98.0%

(S)-(-)-2-(N-propylamino)-5-hydroxytetraline (-)-N-(3,5-dinitrobenzoyl)-α-phenylglycine salt (1222074-04-5) → Desthienyl-Rotigotine (101470-23-9)

Guidance literature:

With potassium carbonate; In toluene; at 60 ℃;

Reference yield: 97.0%

(S)-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propylamine hydrochloride (101403-24-1,3899-07-8) → Desthienyl-Rotigotine (101470-23-9)

Guidance literature:

(S)-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propylamine hydrochloride; With boron tribromide; In dichloromethane; at -40 - 20 ℃;

With water; sodium hydrogencarbonate; In dichloromethane;

DOI:10.1021/ol1022239

Reference yield: 90.0%

(S)-1,2,3,4-tetrahydro-5-hydroxy-N-propyl-naphthalen-2-ammonium hydrobromide (165950-84-5,167016-87-7) → Desthienyl-Rotigotine (101470-23-9)

Guidance literature:

(S)-1,2,3,4-tetrahydro-5-hydroxy-N-propyl-naphthalen-2-ammonium hydrobromide; With sodium hydroxide; In water; at 40 ℃; pH=12.5;

With hydrogenchloride; In water; pH=9 - 9.5;

upstream raw materials:

(S)-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propylamine hydrochloride

(S)-(-)-2-(N-benzylamino)-5-methoxytetralin

(-)-(2S)-2-(N-benzyl-N-n-propylamino)-5-methoxytetralin

(-)-5-hydroxy-N-n-propyl-2-aminotetralin toluenesulfonate

Downstream raw materials:

(-)-5-hydroxy-N-n-propyl-2-aminotetralin toluenesulfonate

rotigotine

(S)-6-((9-phenylnonyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol