3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane

Base Information

• Chemical Name: 3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane
• CAS No.: 2225-98-1
• Molecular Formula: C10H16 O
• Molecular Weight: 152.236
• Hs Code.: 2932999099
• European Community (EC) Number: 218-753-0,252-664-8,244-280-4
• NSC Number: 96745
• DSSTox Substance ID: DTXSID201241384
• Nikkaji Number: J299.186A
• Mol file: 2225-98-1.mol

Synonyms:2225-98-1;3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane;3-carene oxide;3,4-epoxycarane;3,8,8-Trimethyl-4-oxatricyclo[5.1.0.0,3,5]octane;EINECS 218-753-0;3,8,8-Trimethyl-4-oxatricyclo(5.1.0.03,5)octane;NSC96745;SCHEMBL1261773;(1alpha,3beta,5beta,7alpha)-3,8,8-Trimethyl-4-oxatricyclo(5.1.0.03,5)octane;DTXSID201241384;21218-11-1;35671-18-2;CAA22598;EINECS 244-280-4;EINECS 252-664-8;NSC 96745;NSC-96745;EN300-248203;3,8,8-trimethyl-4-oxatricyclo[5.1.0.0?,?]octane;Z1509024943;(1alpha,3alpha,5alpha,7alpha)-3,8,8-Trimethyl-4-oxatricyclo(5.1.0.03,5)octane;4-Oxatricyclo[5.1.0.0(3,5)-]octane, 3,8,8-trimethyl-, (1.alpha.,3.alpha.,5.alpha.,7.alpha.)-;4-Oxatricyclo[5.1.0.0(3,5)-]octane, 3,8,8-trimethyl-, (1.alpha.,3.beta.,5.beta.,7.alpha.)-

Chemical Property of 3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane

Chemical Property:

• PSA: 12.53000
• LogP: 2.20990
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.120115130
• Heavy Atom Count: 11
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2C1CC3(C(C2)O3)C)C

Technology Process of 3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane

There total 14 articles about 3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane 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: 98.0%

3-carene (13466-78-9,19079-29-9) → 3,4-epoxycarane (2225-98-1)

Guidance literature:

With disodium hydrogenphosphate; 1,1,1,3',3',3'-hexafluoro-propanol; dihydrogen peroxide; at 20 ℃; for 21h;

DOI:10.1055/s-2001-10766

Reference yield: 90.0%

(+)-Car-3-ene (498-15-7,19079-29-9) → 3,4-epoxycarane (2225-98-1)

Guidance literature:

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In water; at 0 - 20 ℃; for 0.5h; pH = 8.3;

DOI:10.1016/S0040-4039(00)99483-8

Reference yield: 83.0%

(+)-Δ3-carene (498-15-7,19079-29-9) → (1S,7R)-3,8,8-Trimethyl-4-oxa-tricyclo[5.1.0.03,5]octane (936-91-4,936-92-5,2225-98-1,21218-11-1,35671-18-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform;

DOI:10.1016/S0040-4039(00)74500-X

upstream raw materials:

(+)-Car-3-ene

3-carene

Δ³-carene

(+)-Δ³-carene

Downstream raw materials:

carane-3,4-diol

2-methyl-5-(prop-1-en-2-yl)phenol

(1S,3R,4R,6R)-4-Ethylsulfanyl-3,7,7-trimethyl-bicyclo[4.1.0]heptan-3-ol

3β,4α-dihydroxy-3-carane