Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide

Base Information

• Chemical Name: Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
• CAS No.: 148671-62-9
• Molecular Formula: C11H13 N O
• Molecular Weight: 175.227
• DSSTox Substance ID: DTXSID30164043
• Nikkaji Number: J807.218C
• Wikidata: Q83033075
• ChEMBL ID: CHEMBL12990
• Mol file: 148671-62-9.mol

Synonyms:Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide;3,4-Dihydro-3,3-dimethylisoquinoline 2-oxide;3,3-Dimethyl-3,4-dihydroisoquinoline N-oxide;148671-62-9;mdl101002;CHEMBL12990;SCHEMBL1232463;DTXSID30164043;LS-85541;PD159698;3,3-Dimethyl-3,4-dihydroisoquinoline 2-oxide;Z1861999382

Chemical Property of Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide

Chemical Property:

• Vapor Pressure: 0.0014mmHg at 25°C
• Boiling Point: 306.4°Cat760mmHg
• Flash Point: 140.8°C
• Density: 1.08g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=CC=CC=C2C=[N+]1[O-])C

Technology Process of Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide

There total 8 articles about Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide 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: 80.0%

C11H13NO (148671-79-8) → 3,3-dimethyl-3,4-dihydroisoquinoline N-oxide (148671-62-9)

Guidance literature:

With methanesulfonic acid; In dichloromethane; for 0.5h;

DOI:10.1080/00397911.2010.487175

Reference yield: 52.0%

3,3-dimethyl-3,4-dihydroisoquinoline (28460-55-1) → 3,3-dimethyl-3,4-dihydroisoquinoline N-oxide (148671-62-9)

Guidance literature:

With sodium tungstate; dihydrogen peroxide; In ethanol;

DOI:10.1016/0960-894X(96)00181-3

Reference yield: 46.0%

3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (28459-83-8) → 3,3-dimethyl-3,4-dihydroisoquinoline N-oxide (148671-62-9)

Guidance literature:

With sodium tungstate; dihydrogen peroxide; In methanol; water; Inert atmosphere;

DOI:10.1021/jo301114k

upstream raw materials:

3,3-dimethyl-3,4-dihydroisoquinoline

2-Methyl-1-phenyl-2-propanol

N-(1,1-dimethyl-2-phenyl-ethyl)-formamide

C₁₁H₁₃NO

Downstream raw materials:

3,3-dimethyl-1-(p-tolyl)-3,4-dihydroisoquinoline 2-oxide

1-(4-(methoxycarbonyl)phenyl)-3,3-dimethyl-3,4-dihydroisoquinoline 2-oxide

3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline 2-oxide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 148671-62-9 3,3-Dimethyl-3,4-dihydroisoquinoline N-oxide

Send

Send

Metric Ton KG G Pound L ML

Send

Send