cis-5-Methoxy-1-methyl-2-(di-n-propylamino)tetralin

Base Information

• Chemical Name: cis-5-Methoxy-1-methyl-2-(di-n-propylamino)tetralin
• CAS No.: 95999-11-4
• Molecular Formula: C₁₈H₂₉NO
• Molecular Weight: 275.434
• Hs Code.: 2922299090
• Nikkaji Number: J449.697C
• Wikidata: Q12747276
• ChEMBL ID: CHEMBL157937
• Mol file: 95999-11-4.mol

Synonyms:5-HMDPTME;5-hydroxy-1-methyl-2--(di-n-propylamino)tetralin methyl ether;cis-5-methoxy-1-methyl-2-(di-n-propylamino)tetralin;UH 232;UH 232, (+)-isomer;UH 232, hydrochloride, (+)-isomer;UH 232, hydrochloride, (cis)-isomer;UH-232

Chemical Property of cis-5-Methoxy-1-methyl-2-(di-n-propylamino)tetralin

Chemical Property:

• Vapor Pressure: 5.75E-06mmHg at 25°C
• Boiling Point: 379.7°Cat760mmHg
• Flash Point: 111.9°C
• PSA: 12.47000
• Density: 0.98g/cm³
• LogP: 4.23550
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 275.224914549
• Heavy Atom Count: 20
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)C1CCC2=C(C1C)C=CC=C2OC
• Isomeric SMILES: CCCN(CCC)[C@H]1CCC2=C([C@H]1C)C=CC=C2OC

Technology Process of cis-5-Methoxy-1-methyl-2-(di-n-propylamino)tetralin

There total 2 articles about cis-5-Methoxy-1-methyl-2-(di-n-propylamino)tetralin 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:

(-)-cis-5-methoxy-1-methyl-2-<(1-phenylethyl)amino>tetralin hydrochloride (95999-16-9) → (1R,2S)-cis-5-methoxy-1-methyl-2-(di-n-propylamino)tetralin (95999-11-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / H₂ / 10percent Pd/C / methanol / 760 Torr / Ambient temperature

2: K₂CO₃ / acetonitrile / 240 h / Ambient temperature

With hydrogen; potassium carbonate; palladium on activated charcoal; In methanol; acetonitrile;

DOI:10.1021/jm00146a012

Reference yield:

1-iodo-propane (107-08-4) + (1R,2S)-cis-2-amino-5-methoxy-1-methyltetralin hydrochloride (96092-89-6) → (1R,2S)-cis-5-methoxy-1-methyl-2-(di-n-propylamino)tetralin (95999-11-4)

Guidance literature:

With potassium carbonate; In acetonitrile; a) RT, 6 h, b) 85 deg C, 9 d;

DOI:10.1021/jm00387a004

upstream raw materials:

1-iodo-propane

(1R,2S)-cis-2-amino-5-methoxy-1-methyltetralin hydrochloride

(-)-cis-5-methoxy-1-methyl-2-<(1-phenylethyl)amino>tetralin hydrochloride

Refernces

• 1、 Johansson, Anette M.,Arvidsson, Lars-Erik,Hacksell, Uli,Nilsson, J. Lars G.,Svensson, Kjell,et al.. "Novel Dopamine Receptor Agonists and Antagonists with Preferential Action on Autoreceptors". . p. 1049 - 1053. Retrieved 2007/10/02.