(S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinolinium chloride

Base Information

• Chemical Name: (S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinolinium chloride
• CAS No.: 883-87-4
• Molecular Formula: C12H17 N O2 . Cl H
• Molecular Weight: 243.733
• Hs Code.: 2933499090
• European Community (EC) Number: 212-934-8
• DSSTox Substance ID: DTXSID20236945
• ChEMBL ID: CHEMBL555788
• Mol file: 883-87-4.mol

Synonyms:883-87-4;(S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinolinium chloride;EINECS 212-934-8;(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride;C12H17NO2.ClH;Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, hydrochloride (1:1), (1S)-;CHEMBL555788;DTXSID20236945;(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride;AKOS000277977;TS-03383

Chemical Property of (S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinolinium chloride

Chemical Property:

• Vapor Pressure: 0.000496mmHg at 25°C
• Melting Point: 189-192 °C
• Boiling Point: 313.4 °C at 760 mmHg
• Flash Point: 127.1 °C
• PSA: 30.49000
• LogP: 3.04130
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 243.1026065
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

98.5% ^*data from raw suppliers

SalsolidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC(=C(C=C2CCN1)OC)OC.Cl
• Isomeric SMILES: C[C@H]1C2=CC(=C(C=C2CCN1)OC)OC.Cl

Technology Process of (S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinolinium chloride

There total 1 articles about (S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinolinium chloride 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:

6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline (4721-98-6) → (-)-Salsolidine hydrochloride (883-87-4) + (+)-Salsolidine hydrochloride (110691-65-1)

Guidance literature:

With glucose dehydrogenase; D-Glucose; Amycolatopsis orientalis (Uniprot R₄SNK₄) imine reductase; NADP; In aq. phosphate buffer; N,N-dimethyl-formamide; at 30 ℃; for 18h; pH=7.5; stereoselective reaction; Enzymatic reaction;

DOI:10.1021/acscatal.6b00782

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (-)-Salsolidine hydrochloride (883-87-4) → (S)-(+)-Carnegine hydrochloride (65140-22-9,6266-98-4)

Guidance literature:

With hydrogen; nickel; In methanol; water; for 5h; under 2585.7 Torr; Ambient temperature;

DOI:10.1021/jm00163a025

upstream raw materials:

6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline

Downstream raw materials:

(S)-(+)-Carnegine hydrochloride

Refernces