1-(Chloromethyl)-6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinoline

Base Information

• Chemical Name: 1-(Chloromethyl)-6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinoline
• CAS No.: 384357-13-5
• Molecular Formula: C₁₄H₁₈ClNO₂
• Molecular Weight: 267.755
• DSSTox Substance ID: DTXSID70353691
• Wikidata: Q82131405
• Mol file: 384357-13-5.mol

Synonyms:384357-13-5;1-(chloromethyl)-6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinoline;1-(chloromethyl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinoline;Isoquinoline, 1-(chloromethyl)-3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-;ChemDiv1_019991;HMS643M15;DTXSID70353691;BBL034806;STK721785;AKOS000274317;VS-12681;CS-0320166

Chemical Property of 1-(Chloromethyl)-6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinoline

Chemical Property:

• PSA: 30.82000
• LogP: 2.50200
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.1026065
• Heavy Atom Count: 18
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

1-(CHLOROMETHYL)-6,7-DIMETHOXY-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=CC(=C(C=C2C(=N1)CCl)OC)OC)C

Technology Process of 1-(Chloromethyl)-6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinoline

There total 1 articles about 1-(Chloromethyl)-6,7-dimethoxy-3,3-dimethyl-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: 47.0%

2-methyl-1,2-epoxypropane (558-30-5) + 1,2-dimethoxybenzene (91-16-7) + chloroacetonitrile (107-14-2) → 1-chloromethyl-6,7-dimethoxy-3,4-dihydroisoquinoline (384357-13-5)

Guidance literature:

With sulfuric acid; In toluene; for 2h;

DOI:10.1023/A:1017643703041

Reference yield:

1-chloromethyl-6,7-dimethoxy-3,4-dihydroisoquinoline (384357-13-5) → (Z)-2-cyano-2-[6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-N-phenylethanethioamide

Guidance literature:

Multi-step reaction with 2 steps

1: isopropyl alcohol; water / 1 h / Reflux

2: benzene / 0.17 h / Reflux

In water; isopropyl alcohol; benzene;

DOI:10.1134/S1070428014090127

upstream raw materials:

2-methyl-1,2-epoxypropane

1,2-dimethoxybenzene

chloroacetonitrile

Refernces