7-Methoxy-3-methylisoquinoline

Base Information

• Chemical Name: 7-Methoxy-3-methylisoquinoline
• CAS No.: 40134-07-4
• Molecular Formula: C₁₁H₁₁NO
• Molecular Weight: 173.214
• Hs Code.: 2933499090
• European Community (EC) Number: 836-657-2
• NSC Number: 111223
• DSSTox Substance ID: DTXSID80296727
• Wikidata: Q82037447
• Mol file: 40134-07-4.mol

Synonyms:7-methoxy-3-methylisoquinoline;40134-07-4;Isoquinoline, 7-methoxy-3-methyl- (9CI);NSC111223;3-methyl-7-methoxyisoquinoline;7-methoxy-3-methyl-isoquinoline;SCHEMBL12472123;DTXSID80296727;UIBRIYQVQCXESP-UHFFFAOYSA-N;NSC-111223;EN300-266207;A825077

Chemical Property of 7-Methoxy-3-methylisoquinoline

Chemical Property:

• Vapor Pressure: 0.00192mmHg at 25°C
• Boiling Point: 301.1°Cat760mmHg
• Flash Point: 110.4°C
• PSA: 22.12000
• Density: 1.102g/cm³
• LogP: 2.55180
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

7-methoxy-3-methylisoquinoline 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C(C=C2)OC)C=N1

Technology Process of 7-Methoxy-3-methylisoquinoline

There total 8 articles about 7-Methoxy-3-methylisoquinoline 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: 59.0%

Allyl acetate (591-87-7) + N1,N1-diisopropyl-N2-(3-methoxybenzyl)oxalamide → 7-methoxy-3-methylisoquinoline (40134-07-4)

Guidance literature:

Allyl acetate; N¹,N¹-diisopropyl-N²-(3-methoxybenzyl)oxalamide; With palladium diacetate; dibutyl phosphate; silver carbonate; In 1,2-dichloro-ethane; at 120 ℃; for 36h; Sealed tube;

With sodium hydroxide; In ethanol; 1,2-dichloro-ethane; at 80 ℃; for 24h;

Reference yield: 18.0%

N-(3-methoxy)benzyl-α-methylaminoacetal (116734-02-2) → 7-methoxy-3-methylisoquinoline (40134-07-4)

Guidance literature:

With chlorosulfonic acid; for 72h; Ambient temperature;

Reference yield:

C11H13NO (1393451-05-2) → 7-methoxy-3-methylisoquinoline (40134-07-4)

Guidance literature:

With air; copper(l) iodide; In isopropyl alcohol; at 20 - 55 ℃; for 54h;

upstream raw materials:

N-(3-methoxy)benzyl-α-methylaminoacetal

(3-methoxy)-benzyliminoacetal

3-METHOXYBENZYLAMINE

1,1-dimethoxy-N-(3-methoxybenzyl)propan-2-amine

Downstream raw materials:

3-methyl-isoquinolin-7-ol

7-(trans-4-tert-butylcyclohexyloxy)-3-methylisoquinoline

7-(trans-4-tert-butylcyclohexyloxy)isoquinoline-3-carbaldehyde

1-[7-(trans-4-tert-butylcyclohexyloxy)isoquinolin-3-ylmethyl]piperidine-4-carboxylic acid ethyl ester

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