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

Base Information

• Chemical Name: 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline
• CAS No.: 4721-98-6
• Molecular Formula: C12H15 N O2
• Molecular Weight: 205.257
• Hs Code.: 29334990
• NSC Number: 144726
• DSSTox Substance ID: DTXSID80197068
• Nikkaji Number: J80.889J
• Wikidata: Q72468030
• ChEMBL ID: CHEMBL291083
• Mol file: 4721-98-6.mol

Synonyms:4721-98-6;6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline;1-Methyl-6,7-dimethoxy-3,4-dihydroisoquinoline;Dehydrosalsolidine;Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-methyl-;CHEMBL291083;6,7-Dimethoxy-1-methyl-3,4-dihydro-isoquinoline;3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline;Maybridge1_001068;Oprea1_325770;Isoquinoline,3,4-dihydro-6,7-dimethoxy-1-methyl-;MLS001049069;SCHEMBL1148346;HMS544I12;VASUQTGZAPZKFK-UHFFFAOYSA-;DTXSID80197068;CHEBI:181377;HMS2268B08;BBL027945;BDBM50014656;MFCD00040276;NSC144726;STK801970;AKOS000268865;CCG-233943;DS-6978;NSC 144726;NSC-144726;RTE3_000047;NCGC00246204-01;SMR000386907;AM20210050;CS-0061398;FT-0620859;PK04_181304;1-methyl-3,4-dihydro-6,7-dimethoxyisoquinoline;A827172;AE-848/02267015;6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline #;J-518166;BRD-K55034919-001-08-1;6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;1-METHYL-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE;InChI=1/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3

Chemical Property of 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline

Chemical Property:

• Vapor Pressure: 0.000991mmHg at 25°C
• Melting Point: 103-106 °C
• Refractive Index: 1.5160 (estimate)
• Boiling Point: 312.1°Cat760mmHg
• Flash Point: 117°C
• PSA: 30.82000
• Density: 1.11g/cm³
• LogP: 1.50450
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 36/37/39-26-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NCCC2=CC(=C(C=C12)OC)OC

Technology Process of 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline

There total 3 articles about 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline 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: 60.0%

N-[2-(3,4-dimethoxyphenyl)ethyl]formamide (14301-36-1) + acetic anhydride (108-24-7) → N-[2-(2-acetyl-4,5-dimethoxyphenyl)ethyl]formamide (894419-44-4) + 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline (4721-98-6)

Guidance literature:

With PPA; In dichloromethane; at 50 ℃; for 2h;

DOI:10.3987/COM-05-10645

Reference yield: 45.0%

→ 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline (4721-98-6) + 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (63283-42-1)

Guidance literature:

In tetrahydrofuran; for 48h; Heating;

Reference yield:

9,10-dimethoxy-11b-methyl-2-phenyl-7,11b-dihydro-4H,6H-[1,3]oxazino[2,3-a]isoquinolin-4-one (881031-74-9) → 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline (4721-98-6) + 9,10-dimethoxy-2-phenyl-6,7-dihydro-4H-pyrido[2,1-a]isoquinolin-4-one

Guidance literature:

With trifluoroacetic acid; In 1,2-dichloro-ethane; at 160 ℃; for 0.0333333h; microwave irradiation;

DOI:10.1021/ol052998e

upstream raw materials:

9,10-dimethoxy-11b-methyl-2-phenyl-7,11b-dihydro-4H,6H-[1,3]oxazino[2,3-a]isoquinolin-4-one

N-[2-(3,4-dimethoxyphenyl)ethyl]formamide

acetic anhydride

Downstream raw materials:

2-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-isoquinolinium; iodide

N-(2-acetyl-4,5-dimethoxyphenethyl)benzamide

1-(3,4-dimethoxy-trans-styryl)-6,7-dimethoxy-3,4-dihydro-isoquinoline

1-(2-ethenyl-4,5-dimethoxyphenyl)ethanone

Refernces

• 1、 Ivanov, Iliyan,Nikolova, Stoyanka,Statkova-Abeghe, Stela,Angelov, Plamen. "A synthesis of n-formylenamides of isoquinoline". . p. 387 - 393. Retrieved 2007/10/03.