rac-Rotigotine Hydrochloride

Base Information

• Chemical Name: rac-Rotigotine Hydrochloride
• CAS No.: 102120-99-0
• Molecular Formula: C₁₉H₂₅NOS*ClH
• Molecular Weight: 351.941
• Hs Code.: 2934999090
• UNII: 2B3CRG6EJ2
• Mol file: 102120-99-0.mol

Synonyms:(+)-5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol;(+--)-5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol;1-naphthalenol, 5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-;2-(N-n-propyl-N-2-thienylethylamino)-5-hydroxytetralin;N 0437;N 0437, (+-)-isomer;N 0437, (-)-isomer;N 0437, (R)-isomer;N 0437, hydrochloride, (R)-isomer;N 0437, hydrochloride, (S)-isomer;N 0923;N 0924;N-0437;N-0923;N-0924;Neupro;racemic N-0437;rotigotine;rotigotine (+-)-form;Rotigotine CDS;rotigotine, (+)-;rotigotine, (+--)-

Chemical Property of rac-Rotigotine Hydrochloride

Chemical Property:

• Melting Point: >118°C (dec.)
• PSA: 51.71000
• LogP: 5.06770
• Storage Temp.: Refrigerator
• Solubility.: Acetone, DMSO, Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 351.1423633
• Heavy Atom Count: 23
• Complexity: 337

Purity/Quality:

97% ^*data from raw suppliers

rac-RotigotineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O.Cl
• Uses: Racemic mixture of Rotigotine and ent-Rotigotine

Technology Process of rac-Rotigotine Hydrochloride

There total 23 articles about rac-Rotigotine Hydrochloride 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%

rotigotine (99755-59-6,112835-48-0) → rotigotine hydrochloride (125572-93-2,102120-99-0,125572-92-1)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/adsc.201701198

Reference yield: 84.0%

(-)-2-(N-propyl-N-2-thienylethylamino)5-hydroxytetralin (112835-48-0) → (-)-5-hydroxy-2-[N-n-propyl-2-(2-thienyl)ethylamino]tetralin hydrochloride (102120-99-0,125572-92-1)

Guidance literature:

With hydrogenchloride;

Reference yield: 82.0%

(2S)-5-methoxy-N-propyl-N-(2'-(thien-2-yl)ethyl)tetralin-2-amine hydrochloride (1232344-37-4) → rotigotine hydrochloride (125572-93-2,102120-99-0,125572-92-1)

Guidance literature:

(2S)-5-methoxy-N-propyl-N-(2'-(thien-2-yl)ethyl)tetralin-2-amine hydrochloride; With aluminum (III) chloride; thiourea; In toluene; at 60 - 65 ℃;

With ammonia; In water; toluene; at 15 - 30 ℃; pH=8 - 9;

With hydrogenchloride; In dichloromethane;

upstream raw materials:

rotigotine

(2S)-5-methoxy-N-propyl-N-(2'-(thien-2-yl)ethyl)tetralin-2-amine

(2S)-5-methoxy-N-propyl-N-(2'-(thien-2-yl)ethyl)tetralin-2-amine hydrochloride

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