8-(Benzylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane

Base Information

• Chemical Name: 8-(Benzylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane
• CAS No.: 136375-93-4
• Molecular Formula: C₁₈H₂₁N
• Molecular Weight: 251.371
• DSSTox Substance ID: DTXSID90929357
• Nikkaji Number: J423.441C
• Mol file: 136375-93-4.mol

Synonyms:BRN 4748737;8-(Benzylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane;1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-N-(phenylmethyl)-;136375-93-4;DTXSID90929357;LS-67633;N-Benzyloctahydro-1H-2,4,1-(ethane[1,1,2]triyl)cyclobuta[cd]pentalen-5-amine

Chemical Property of 8-(Benzylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane

Chemical Property:

• Vapor Pressure: 7.51E-06mmHg at 25°C
• Boiling Point: 375.9°Cat760mmHg
• Flash Point: 191.8°C
• Density: 1.22g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 251.167399674
• Heavy Atom Count: 19
• Complexity: 412

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C3CC4C2C5C1C3C(C45)NCC6=CC=CC=C6

Technology Process of 8-(Benzylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane

There total 4 articles about 8-(Benzylamino)pentacyclo(5.4.0.0(sup 2,6).0(sup 3,10).0(sup 5,9))undecane 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:

C18H19N → C18H21N (93779-18-1,136375-93-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; water; for 5h; Yield given; Ambient temperature;

DOI:10.1016/0223-5234(91)90097-7

Reference yield:

pentacyclo[5.4.0.02,6.03,10.05,8]undecane-8-one (69649-19-0) → C18H21N (93779-18-1,136375-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 24 h / Heating

2: NaBH₄ / ethanol; H₂O / 5 h / 20 °C

With sodium tetrahydroborate; In ethanol; water; 1: Condensation / 2: Reduction;

DOI:10.1002/(SICI)1521-4184(200001)333:1<10::AID-ARDP10>3.0.CO;2-5

Reference yield:

benzylamine (100-46-9) → C18H21N (93779-18-1,136375-93-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 12 h / 100 °C

2: NaBH₄ / ethanol; H₂O / 5 h / Ambient temperature

With sodium tetrahydroborate; In ethanol; water;

DOI:10.1016/0223-5234(91)90097-7

upstream raw materials:

pentacyclo[5.4.0.0^2,6.0^3,10.0^5,8]undecane-8-one

benzylamine