Benzoctamine

Base Information

• Chemical Name: Benzoctamine
• CAS No.: 17243-39-9
• Molecular Formula: C18H19N
• Molecular Weight: 249.356
• UNII: 734MM7Y191
• DSSTox Substance ID: DTXSID4022654
• Nikkaji Number: J9.087E
• Wikipedia: Benzoctamine
• Wikidata: Q4890786
• NCI Thesaurus Code: C83545
• Metabolomics Workbench ID: 152093
• ChEMBL ID: CHEMBL2110603
• Mol file: 17243-39-9.mol

Synonyms:benzoctamine;benzoctamine hydrochloride;benzoctamine methanesulfonate

Chemical Property of Benzoctamine

Chemical Property:

• Vapor Pressure: 9.91E-06mmHg at 25°C
• Boiling Point: 372°C at 760 mmHg
• PKA: 9.83±0.10(Predicted)
• Flash Point: 181.1°C
• PSA: 12.03000
• Density: 1.114g/cm³
• LogP: 3.82210
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.151749610
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

BENZOCTAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion.
• Hazard Codes: Moderately toxic by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
• Uses: Relaxant (muscle); sedative-hypnotic.

Technology Process of Benzoctamine

There total 2 articles about Benzoctamine 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:

1-Methyliminomethyl-dibenzobicyclo<2.2.2>octadien (23941-24-4) → Benzoctamine (17243-39-9)

Guidance literature:

With hydrogen; nickel; In ethanol;

DOI:10.1002/hlca.19690520602

Reference yield:

9-formyl-9,10-dihydro-9,10-ethanoanthracene (36280-77-0) → Benzoctamine (17243-39-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: H₂ / Raney-Ni / ethanol

With hydrogen; nickel; In ethanol;

DOI:10.1002/hlca.19690520602

Reference yield: 54.0%

2,3-Dibromo-1,4-naphthoquinone (13243-65-7) + Benzoctamine (17243-39-9) → 3-Brom-2-(N-methyl-9,10-dihydro-9,10-ethano-anthr-9-yl-methylamino)-1,4-naphthochinon

Guidance literature:

In dichloromethane; for 168h;

DOI:10.1002/ardp.19863190905

upstream raw materials:

1-Methyliminomethyl-dibenzobicyclo<2.2.2>octadien

9-formyl-9,10-dihydro-9,10-ethanoanthracene

Downstream raw materials:

1-Dimethylaminomethyl-dibenzobicyclo<2.2.2>octadien

5-Methyl-2-(N-methyl-9,10-dihydro-9,10-ethano-anthr-9-yl-methylamino)-1,4-benzochinon

6-Methyl-2-(N-methyl-9,10-dihydro-9,10-ethano-anthr-9-yl-methylamino)-1,4-benzochinon

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 17243-39-9 BENZOCTAMINE

Send

Send

Metric Ton KG G Pound L ML

Send

Send