(1S,2S,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

Base Information

Chemical Name:(1S,2S,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CAS No.:21803-49-6
Molecular Formula:C10H18O2
Molecular Weight:170.252
Hs Code.:
DSSTox Substance ID:DTXSID10361437
Wikidata:Q82143783
Mol file:21803-49-6.mol

Synonyms:CTK0I9126;21803-49-6;DTXSID10361437

Suppliers and Price of (1S,2S,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of (1S,2S,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:170.130679813
Heavy Atom Count:12
Complexity:212

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2CC1C(C(C2)O)(C)O)C
Isomeric SMILES:C[C@@]1([C@H]2C[C@H](C2(C)C)C[C@@H]1O)O

Technology Process of (1S,2S,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

There total 5 articles about (1S,2S,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol 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: 75.0%

: 7785-70-8,25766-18-1
(+)-α-pinene

: 21803-49-6
(1S,2S,3R,5S)-(+)-pinanediol

: 14575-92-9,25488-94-2
2,3-epoxy-cis-pinane

Guidance literature:: With dihydrogen peroxide; methyltrioxorhenium(VII); In dichloromethane; water; acetonitrile; at 25 ℃; for 1h;
DOI:10.1016/j.tet.2004.11.065

Reference yield:

: 29333-13-9
Acetic acid (1S,2S,5S)-2,6,6-trimethyl-3-oxo-bicyclo[3.1.1]hept-2-yl ester

: 18680-27-8
pinanediol

: 21803-49-6
(1S,2S,3R,5S)-(+)-pinanediol

Guidance literature:: With lithium aluminium tetrahydride;
DOI:10.1021/jo00815a028

Reference yield:

: 7785-70-8,25766-18-1
(+)-α-pinene

: 18680-27-8,20536-51-0,20536-52-1,21803-49-6,22422-34-0,22466-72-4,22466-73-5,25926-79-8,29333-10-6,38791-29-6,53404-49-2,57089-71-1,74498-29-6,147128-27-6
(1RS:2SR:3RS)-pinanediol-(2.3)

Guidance literature:: With osmium(VIII) oxide; trimethylamine-N-oxide; hexamethylenetetramine; sodium hydrogensulfite; Yield given. Multistep reaction; 1.) t-BuOH, H₂O, 70 deg C, 25 h, 2.) H₂O_. Other secondary oxidants and tert-amines.;
DOI:10.1080/00397919808005067