(S)-1-methyl-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 64982-61-2
• Molecular Formula: C10H13N
• Molecular Weight: 147.22
• DSSTox Substance ID: DTXSID40458627
• Nikkaji Number: J956.450K
• Wikidata: Q82282067
• Mol file: 64982-61-2.mol

Synonyms:(S)-1-methyl-1,2,3,4-tetrahydroisoquinoline;64982-61-2;(1S)-1-Methyl-1,2,3,4-tetrahydroisoquinoline;(s)-1-methyl-1,2,3,4-tetrahydro-isoquinoline;SCHEMBL1010378;DTXSID40458627;QPILYVQSKNWRDD-QMMMGPOBSA-N;CS-0454538;1-(S)-Methyl-1,2,3,4-tetrahydro-isoquinoline;A905544;(S)-(-)-1-methyl-1,2,3,4-tetrahydroisoquinoline;J-650343

Chemical Property of (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• PSA: 12.03000
• LogP: 2.22210
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-Methyl-1,2,3,4-tetrahydro-isoquinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC=CC=C2CCN1
• Isomeric SMILES: C[C@H]1C2=CC=CC=C2CCN1

Technology Process of (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline

There total 4 articles about (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline 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:

(R)-2-((S)-4-Isopropyl-4,5-dihydro-oxazol-2-yl)-1-methyl-1,2,3,4-tetrahydro-isoquinoline (102922-31-6) → (R)-1-methyl-1,2,3,4-tetrahydroisoquinoline (84010-66-2) + (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline (64982-61-2) + (S)-valinol (2026-48-4,473-75-6)

Guidance literature:

With toluene-4-sulfonic acid; hydrazine hydrate; In ethanol; for 6h; Heating;

DOI:10.1021/ja00188a040

Reference yield:

(1E)-4-hydroxy-1-mesityl-4-methylpent-1-en-3-one (1346681-71-7) + 1-methyl-1,2,3,4-tetrahydroisoquinoline (4965-09-7) → (R)-1-methyl-1,2,3,4-tetrahydroisoquinoline (84010-66-2) + (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline (64982-61-2) + (1S)-2-(3-mesitylpropanoyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (1346681-98-8) + (1R)-2-(3-mesitylpropanoyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

Guidance literature:

With 2-(2,4,6-trimethyl-phenyl)-2,5,6,7-tetrahydro-pyrrolo[2,1-c] [1,2,4]triazol-4-ylium perchlorate; (4aR,9aS)-4-hydroxy-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 23 ℃; for 18h; optical yield given as %ee; enantioselective reaction; Inert atmosphere; Resolution of racemate;

DOI:10.1021/ja209472h

Reference yield:

mesytaldehyde (487-68-3) → (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline (64982-61-2) + (1S)-2-(3-mesitylpropanoyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (1346681-98-8)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hydroxide / methanol; water / 18 h / 80 °C

2: 2-(2,4,6-trimethyl-phenyl)-2,5,6,7-tetrahydro-pyrrolo[2,1-c] [1,2,4]triazol-4-ylium perchlorate; (4aR,9aS)-4-hydroxy-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one; 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 18 h / 23 °C / Inert atmosphere; Resolution of racemate

With 2-(2,4,6-trimethyl-phenyl)-2,5,6,7-tetrahydro-pyrrolo[2,1-c] [1,2,4]triazol-4-ylium perchlorate; (4aR,9aS)-4-hydroxy-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one; 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium hydroxide; In methanol; dichloromethane; water;

DOI:10.1021/ja209472h

upstream raw materials:

(R)-2-((S)-4-Isopropyl-4,5-dihydro-oxazol-2-yl)-1-methyl-1,2,3,4-tetrahydro-isoquinoline

(1E)-4-hydroxy-1-mesityl-4-methylpent-1-en-3-one

1-methyl-1,2,3,4-tetrahydroisoquinoline

mesytaldehyde

Downstream raw materials:

1-methylisoquinoline

1-methyl-1,2,3,4-tetrahydroisoquinoline

Revaprazan hydrochloride

benzyl (1R)-1-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

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