Metofoline

Base Information

• Chemical Name: Metofoline
• CAS No.: 2154-02-1
• Molecular Formula: C₂₀H₂₄ClNO₂
• Molecular Weight: 345.869
• NSC Number: 169889
• UNII: 72L4ZT2W1P
• DSSTox Substance ID: DTXSID90862851
• Nikkaji Number: J7.338E
• Wikipedia: Metofoline
• Wikidata: Q6824210
• NCI Thesaurus Code: C83957
• ChEMBL ID: CHEMBL2106915
• Mol file: 2154-02-1.mol

Synonyms:Metofoline;Methopholine;Metopholine;Versidyne;2154-02-1;Mesofolin;ARC I-K-1;NIH 7672;Ro 4-1778/1;Methopholine [USAN];Metofoline [INN];Metofoline, (-)-;Methopholine, (-)-;Metofolinum [INN-Latin];Metofolina [INN-Spanish];NSC-169889;ARC-I-K-1;1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;UNII-T8093YH1A3;72L4ZT2W1P;ARC 1-K-1;T8093YH1A3;NIH-7672;NSC169889;NSC 169889;Methopholine (USAN);Ro 4-1778;Ro 41778/1;ARC-1-K-1;1-(p-Chlorophenethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline;C20H24ClNO2;Isoquinoline, 1-(2-(4-chlorophenyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-;ISOQUINOLINE, 1-(p-CHLOROPHENETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-;1-(p-Chlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;1-(p-Chlorophenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline;Metofoline, (+)-;Isoquinoline, 1-(2-(4-chlorophenyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (-)-;Methopholine, (+)-;180003-15-0;Metofolina;Metofolinum;958H0E3A4Y;METOFOLINE [MI];UNII-72L4ZT2W1P;Oprea1_250682;SCHEMBL26169;UNII-958H0E3A4Y;CHEMBL2106915;NIOSH/NX4948000;DTXSID90862851;CHEBI:135462;14415-95-3;Isoquinoline, 1-(2-(4-chlorophenyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (+)-;LS-85485;LS-85853;NX49480000;RO-4-1778/1;D04986;WLN: T66 CNT&J B2R DG& C1 HO1 IO1;Q6824210;1-(p-Chlorophenethyl)-6,2,3,4-tetrahydroisoquinoline;Isoquinoline,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-;1-(p-Chlorophenethyl)-2-methyl-6,2,3,4-tetrahydroisoquinoline;1-(p-Chlorophenethyl)-1,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline;(+-)-1,2,3,4-Tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-methylisoquinoline;1-(2-(4-Chlorophenyl)ethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline;1-(p-Chlorophenethyl)-1,2,3,4-tetrahydro-6, 7-dimethoxy-2-methylisoquinoline;1-(p-Chlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3, 4-tetrahydroisoquinoline;1-(p-Chlorophenethyl)-6, 7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline;Isoquinoline, {1-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydro-6,} 7-dimethoxy-2-methyl-;Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-methyl-, (+-)-;Isoquinoline, 1-(p-chlorophenethyl)-1,2,3, 4-tetrahydro-6,7-dimethoxy-2-methyl-

Chemical Property of Metofoline

Chemical Property:

• Vapor Pressure: 2.89E-08mmHg at 25°C
• Melting Point: 110-111°
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 449.3°Cat760mmHg
• Flash Point: 225.5°C
• PSA: 21.70000
• Density: 1.131g/cm³
• LogP: 4.45690
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 345.1495567
• Heavy Atom Count: 24
• Complexity: 386

Purity/Quality:

99%, ^*data from raw suppliers

METOFOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)OC)OC
• Uses: Analgesic.

Technology Process of Metofoline

There total 1 articles about Metofoline 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)-6,7-Dimethoxy-2-methyl-1-(4-chlor-phenethyl)-1,2,3,4-tetrahydro-isochinolin (2154-02-1,14415-95-3)

Guidance literature:

(+)-6,7-Dimethoxy-1-(4-chlor-phenethyl)-1,2,3,4-tetrahydro-isochinolin, Formaldehyd, Ameisensaeure/sd. W.;

DOI:10.1002/hlca.19610440615