Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-

Base Information

• Chemical Name: Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-
• CAS No.: 4747-61-9
• Molecular Formula: C11H20O
• Molecular Weight: 168.279
• European Community (EC) Number: 225-267-2
• NSC Number: 1285
• DSSTox Substance ID: DTXSID70863447
• Nikkaji Number: J21.519H
• Mol file: 4747-61-9.mol

Synonyms:4747-61-9;Dihydronopol;Hydronopol;Dihydrohomomyrtenol;Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-;2-(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)ethanol;Nopol (terpene), dihydro-;2-Norpinaneethanol, 6,6-dimethyl-;2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethan-1-ol;NSC 1285;EINECS 225-267-2;2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanol;AI3-14381;6,6-Dimethylbicyclo(3.1.1)heptane-2-ethanol;Bicyclo(3.1.1)heptane-2-ethanol, 6,6-dimethyl-;6,6-Dimethylbicyclo[3.1.1]heptane-2-ethanol;2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethanol;2-{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}ethan-1-ol;NSC-1285;NSC1285;SCHEMBL5517946;2-Norpinaneethanol,6-dimethyl-;DTXSID70863447;BGA82519;Bicyclo[3.1.1]heptane-2-ethanol,6-dimethyl-;EN300-2001568;2-(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)ethanol #;2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethanol

Chemical Property of Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-

Chemical Property:

• Vapor Pressure: 0.0097mmHg at 25°C
• Boiling Point: 234.5°Cat760mmHg
• PKA: 15.12±0.10(Predicted)
• Flash Point: 103.8°C
• PSA: 20.23000
• Density: 0.941g/cm³
• LogP: 2.44110
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

6,6-DIMETHYL BICYCLO-[3,1,1]-HEPTANE-2-ETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC(C1C2)CCO)C

Technology Process of Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-

There total 4 articles about Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl- 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: 88.9%

nopol (128-50-7) → dihydronopol (4747-61-9)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol; at 20 ℃; Solvent; Reagent/catalyst;

Reference yield:

1H-imidazole (288-32-4) + hydronopyl bromide (53207-03-7) → 1-[2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl]imidazole + dihydronopol (4747-61-9)

Guidance literature:

With potassium tert-butylate; In hydrogenchloride; butan-1-ol;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Beta-pinene (177698-19-0,25719-60-2) → dihydronopol (4747-61-9)

Guidance literature:

In benzonitrile; at 90 ℃; for 10h; Reagent/catalyst; Temperature; Solvent; Catalytic behavior;

DOI:10.1039/c5ra12106j

upstream raw materials:

nopol

1H-imidazole

hydronopyl bromide

formaldehyd

Downstream raw materials:

Pinaverium bromide

4-{2-[2-(6,6-dimethyl-norpinan-2-yl)-ethoxy]-ethyl}-morpholine

Refernces

• 1、 -. "A synthesis method of pinaverium bromide". Page/Page column 7-9. . Retrieved 2018/11/04.
• 2、 Baronnet,Foussard Blanpin,Bretaudeau,Hubert. "Synthesis and comparative pharmacology of quaternary ammonium derivatives of 6,6 dimethylnorpinane: spasmolytic activity". . p. 182 - 187. Retrieved 2007/10/06.