ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetate

Base Information

• Chemical Name: ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetate
• CAS No.: 132067-89-1
• Molecular Formula: C₁₅H₁₉NO₂
• Molecular Weight: 245.321
• DSSTox Substance ID: DTXSID70424855
• Wikidata: Q82237613

Synonyms:AC1O76XL;HMS667J12;DTXSID70424855;132067-89-1

Chemical Property of ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetate

Chemical Property:

• Vapor Pressure: 0.00011mmHg at 25°C
• Boiling Point: 336.7°C at 760 mmHg
• Flash Point: 132.2°C
• Density: 1.07g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.141578849
• Heavy Atom Count: 18
• Complexity: 346

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C1C2=CC=CC=C2CC(N1)(C)C
• Isomeric SMILES: CCOC(=O)/C=C\1/C2=CC=CC=C2CC(N1)(C)C

Technology Process of ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetate

There total 2 articles about ethyl (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetate 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: 95.0%

2-Methyl-1-phenyl-2-propanol (100-86-7) + ethyl 2-cyanoacetate (105-56-6) → ethyl malonamate (7597-56-0) + [3,3-Dimethyl-3,4-dihydro-2H-isoquinolin-(1Z)-ylidene]-acetic acid ethyl ester (132067-89-1)

Guidance literature:

With sulfuric acid; In benzene; for 0.0833333h; Heating;

DOI:10.1007/BF00515067

Reference yield: 75.0%

1-methylsulfanyl-3,3-dimethyl-3,4-dihydroisoquinoline (132628-97-8) + ethyl 2-cyanoacetate (105-56-6) → 3,3-Dimethyl-1-dicyanomethylene-1,2,3,4-tetrahydroisoquinoline (132628-98-9) + [3,3-Dimethyl-3,4-dihydro-2H-isoquinolin-(1Z)-ylidene]-acetic acid ethyl ester (132067-89-1) + Cyano-[3,3-dimethyl-3,4-dihydro-2H-isoquinolin-(1Z)-ylidene]-acetic acid ethyl ester

Guidance literature:

at 150 ℃;

DOI:10.1007/BF00531296

Reference yield: 67.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + [3,3-Dimethyl-3,4-dihydro-2H-isoquinolin-(1Z)-ylidene]-acetic acid ethyl ester (132067-89-1) → 14-ethoxycarbonyl-6,6-dimethyl-5,6-dihydrobenzo[g]naphtho[2,3-b]indolyzine-8,13-dione (1001910-92-4)

Guidance literature:

With triethylamine; In benzene; for 1h; Heating;

DOI:10.1007/s10593-006-0248-2

upstream raw materials:

2-Methyl-1-phenyl-2-propanol

ethyl 2-cyanoacetate

1-methylsulfanyl-3,3-dimethyl-3,4-dihydroisoquinoline

Downstream raw materials:

14-ethoxycarbonyl-6,6-dimethyl-5,6-dihydrobenzo[g]naphtho[2,3-b]indolyzine-8,13-dione

C₂₃H₂₂BrNO₂

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