(S)-(1,2,3,4-Tetrahydroquinolin-2-yl)methanol

Base Information

• Chemical Name: (S)-(1,2,3,4-Tetrahydroquinolin-2-yl)methanol
• CAS No.: 63430-96-6
• Molecular Formula: C₁₀H₁₃NO
• Molecular Weight: 163.219
• DSSTox Substance ID: DTXSID50435580
• Nikkaji Number: J1.948.355J
• Mol file: 63430-96-6.mol

Synonyms:(S)-(1,2,3,4-Tetrahydroquinolin-2-yl)methanol;63430-96-6;[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methanol;SCHEMBL3441906;DTXSID50435580;F88104;(2S)-1,2,3,4-Tetrahydroquinoline-2alpha-methanol

Chemical Property of (S)-(1,2,3,4-Tetrahydroquinolin-2-yl)methanol

Chemical Property:

• PSA: 32.26000
• LogP: 1.54360
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-(1,2,3,4-Tetrahydroquinolin-2-yl)methanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2NC1CO
• Isomeric SMILES: C1CC2=CC=CC=C2N[C@@H]1CO

Technology Process of (S)-(1,2,3,4-Tetrahydroquinolin-2-yl)methanol

There total 11 articles about (S)-(1,2,3,4-Tetrahydroquinolin-2-yl)methanol 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:

quinoline 2-carbaldehyde (5470-96-2) + aniline (62-53-3) → quinolin-2-ylmethanol (1780-17-2) + 1,2,3,4-tetrahydroquinolin-2-ylmethanol (63430-96-6,40971-36-6) + N-((1,2,3,4-tetrahydroquinolin-2-yl)methyl)aniline + N-(quinolin-2-ylmethyl)aniline (27114-21-2)

Guidance literature:

With C₁₃H₁₉N₂O₂S^(1-)*CF₃O₃S^(1-)*Ru⁽²⁺⁾*C₁₀H₁₄; hydrogen; In isopropyl alcohol; at 50 ℃; for 20h; under 38002.6 Torr; Autoclave; Glovebox;

DOI:10.1002/anie.201909919

Reference yield:

quinoline 2-carbaldehyde (5470-96-2) + aniline (62-53-3) → quinolin-2-ylmethanol (1780-17-2) + 1,2,3,4-tetrahydroquinolin-2-ylmethanol (63430-96-6,40971-36-6) + (S)-N-((1,2,3,4-tetrahydroquinolin-2-yl)methyl)aniline + N-((1,2,3,4-tetrahydroquinolin-2-yl)methyl)aniline + N-(quinolin-2-ylmethyl)aniline (27114-21-2)

Guidance literature:

With C₂₁H₂₁N₂O₂S^(1-)*C₁₀H₁₄*CF₃O₃S^(1-)*Ru⁽²⁺⁾; hydrogen; In methanol; at 50 ℃; for 20h; under 38002.6 Torr; enantioselective reaction; Autoclave; Glovebox;

DOI:10.1002/anie.201909919

Reference yield:

quinoline 2-carbaldehyde (5470-96-2) + 2,6-diisopropylbenzenamine (24544-04-5) → 1,2,3,4-tetrahydroquinolin-2-ylmethanol (63430-96-6,40971-36-6) + (S)-2,6-diisopropyl-N-((1,2,3,4-tetrahydroquinolin-2-yl)methyl)aniline

Guidance literature:

With C₂₁H₂₁N₂O₂S^(1-)*C₁₀H₁₄*CF₃O₃S^(1-)*Ru⁽²⁺⁾; hydrogen; In isopropyl alcohol; at 25 ℃; for 20h; under 38002.6 Torr; Reagent/catalyst; enantioselective reaction; Autoclave; Glovebox;

DOI:10.1002/anie.201909919

upstream raw materials:

quinoline 2-carbaldehyde

aniline

2,6-diisopropylbenzenamine

2-methylquinoline

Downstream raw materials:

2-Iodomethyl-1,2,3,4-tetrahydro-quinoline

6-bromo-5-<(methoxycarbonyl)methyl>-6,7-dihydro-1H,5H-pyrido<1,2,3-de>quinoxaline-2,3-dione

2-(1,2,3,4-tetrahydroquinolin-2-yl)acetic acid

tert-butyl 2-((1-(3,4-dichlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)methoxy)-acetate

Refernces

• 1、 -. "Tricyclic quinoxalinediones". . . Retrieved 2008/06/13.