Bicyclo[3.1.1]hept-2-ene, 2-(chloromethyl)-6,6-dimethyl-

Base Information

• Chemical Name: Bicyclo[3.1.1]hept-2-ene, 2-(chloromethyl)-6,6-dimethyl-
• CAS No.: 30897-76-8
• Molecular Formula: C10H15 Cl
• Molecular Weight: 170.682
• European Community (EC) Number: 250-377-2
• DSSTox Substance ID: DTXSID30885488
• Nikkaji Number: J287.407E
• Mol file: 30897-76-8.mol

Synonyms:30897-76-8;EINECS 250-377-2;Bicyclo[3.1.1]hept-2-ene, 2-(chloromethyl)-6,6-dimethyl-;2-(CHLOROMETHYL)-6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-ENE;2-(Chloromethyl)-6,6-dimethylbicyclo(3.1.1)hept-2-ene;Bicyclo(3.1.1)hept-2-ene, 2-(chloromethyl)-6,6-dimethyl-;10-Chloropinane-2-ene;SCHEMBL10977869;DTXSID30885488;AKOS006275176;EN300-1966966;2-chloromethyl-6,6-dimethylbicyclo[3.1.1]hept-2-ene

Chemical Property of Bicyclo[3.1.1]hept-2-ene, 2-(chloromethyl)-6,6-dimethyl-

Chemical Property:

• Vapor Pressure: 0.594mmHg at 25°C
• Boiling Point: 195.2°Cat760mmHg
• Flash Point: 68.4°C
• PSA: 0.00000
• Density: 1.019g/cm³
• LogP: 3.21760
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 170.0862282
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CC=C(C1C2)CCl)C

Technology Process of Bicyclo[3.1.1]hept-2-ene, 2-(chloromethyl)-6,6-dimethyl-

There total 3 articles about Bicyclo[3.1.1]hept-2-ene, 2-(chloromethyl)-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:

myrtenol (515-00-4) → 2-Chloromethyl-6,6-dimethylbicyclo-[3.1.]hept-2-ene + 3-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene (30897-76-8)

Guidance literature:

With triphenylphosphine; In tetrachloromethane;

Reference yield:

myrtenol (515-00-4) → 3-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene (30897-76-8) + 3-chloro-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane (71564-06-2)

Guidance literature:

myrtenol; With potassium hydride; In 1,4-dioxane; Inert atmosphere;

With niobium pentachloride; In 1,4-dioxane; Inert atmosphere;

DOI:10.1021/jo901287f

Reference yield:

→ 3-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene (30897-76-8)

Guidance literature:

α-Pinen 1, tert-Butylhypochlorit b. 20grad oder 50grad in Ggw. von α,α'-Azodiisobuttersaeurenitril, Dibenzoylperoxid od. unter bestrahlung mit UV-Licht (neben anderen Verbindungen);

upstream raw materials:

myrtenol

Refernces

• 1、 -. "Imidazole derivatives and salts thereof and pharmaceutical formulations useful in thrombo-embolic disorders". . . Retrieved 2008/06/13.