Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-

Base Information Edit

Chemical Name:Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-
CAS No.:6876-13-7
Molecular Formula:C₁₀H₁₈
Molecular Weight:138.253
Hs Code.:2902199090
European Community (EC) Number:229-978-9,225-352-4
UNII:FDS697478P
DSSTox Substance ID:DTXSID601032280
Nikkaji Number:J262.501F
Wikidata:Q27277935
Mol file:6876-13-7.mol

Synonyms:(-)-cis-pinane;(1alpha,2alpha,5alpha)-isomer of pinane;pinane;pinane, (1alpha,3beta,5alpha)-(cis)-isomer;pinane, (1R-(1alpha,2beta,5alpha))-isomer;pinane, (1S-(1alpha,2beta,5alpha))-((-)-cis)-isomer;pinane, cis-;pinane, cis-(+)-;pinane, cis-(-)-;pinane, trans-

Suppliers and Price of Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
(1ALPHA,2BETA,5ALPHA)-2,6,6-TRIMETHYL BICYCLO-[3,1,1]-HEPTANE 95.00%
5MG
$ 499.63

Total 36 raw suppliers

Chemical Property of Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel- Edit

Chemical Property:

Appearance/Colour:Colorless liquid
Vapor Pressure:3.63mmHg at 25°C
Melting Point:-53oC
Refractive Index:1.4622
Boiling Point:157 °C at 760 mmHg
Flash Point:36 °C
PSA：0.00000
Density:0.857 g/mL at 20 °C(lit.)
LogP:3.07860
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:138.140850574
Heavy Atom Count:10
Complexity:146

Purity/Quality:

98% ^*data from raw suppliers

(1ALPHA,2BETA,5ALPHA)-2,6,6-TRIMETHYL BICYCLO-[3,1,1]-HEPTANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 10
Safety Statements: 16

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Biological Agents -> Wood Dusts & Extracts
Canonical SMILES:CC1CCC2CC1C2(C)C
Isomeric SMILES:C[C@H]1CC[C@@H]2C[C@H]1C2(C)C

Technology Process of Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-

There total 44 articles about Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel- 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: 99.6%

: 80-56-8,177698-18-9,25766-18-1
Pinene

: 4755-33-3,4795-86-2,4863-59-6,6876-13-7,10281-53-5,33626-25-4,112456-46-9,112456-47-0,473-55-2
pinane

Guidance literature:: With hydrogen; at 130 ℃; Reagent/catalyst;
DOI:10.1134/S1070363219100013

Reference yield: 95.0%

: 177698-19-0,25719-60-2
Beta-pinene

: 4755-33-3,4795-86-2,4863-59-6,6876-13-7,10281-53-5,33626-25-4,112456-46-9,112456-47-0,473-55-2
pinane

Guidance literature:: With nickel(II) bis(octanoate); hydrogen; 1,4-bis(2,6-diisopropylphenyl)-2,3-dimethyl-1,4-diazabuta-1,3-diene; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In benzene-d6; at 50 ℃; for 12h; under 3040.2 Torr;
DOI:10.1021/acscatal.7b03909

Reference yield: 11.0%

: 80-56-8,177698-18-9,25766-18-1
Pinene

: 4755-33-3,4795-86-2,4863-59-6,6876-13-7,10281-53-5,33626-25-4,112456-46-9,112456-47-0,473-55-2
pinane

: 27779-29-9
Isopinocampheol

: (2S,3R)-2,6,6-Trimethyl-bicyclo[3.1.1]heptan-3-ol

Guidance literature:: With benzyltriethylammonium borohydride; chloro-trimethyl-silane; In dichloromethane; at 0 ℃; for 3h; Yields of byproduct given;
DOI:10.1039/c39890000903