(1R,6S)-4,7,7-Trimethyl-3-oxabicyclo(4.1.0)hept-4-en-2-one

Base Information

Chemical Name:(1R,6S)-4,7,7-Trimethyl-3-oxabicyclo(4.1.0)hept-4-en-2-one
CAS No.:70174-49-1
Molecular Formula:C9H12O2
Molecular Weight:152.193
Hs Code.:
European Community (EC) Number:615-077-1

Synonyms:70174-49-1;EC 615-077-1;(1R,cis)-4,7,7-Trimethyl-3-oxabicyclo[4.1.0]hept-4-en-2-one;(1R,6S)- 4,7,7-Trimethyl-3-oxabicyclo(4.1.0)hept-4-en-2-one;SCHEMBL10696152;WHUFACPDKQXVMW-BQBZGAKWSA-N

Suppliers and Price of (1R,6S)-4,7,7-Trimethyl-3-oxabicyclo(4.1.0)hept-4-en-2-one

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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price

Total 1 raw suppliers

Chemical Property of (1R,6S)-4,7,7-Trimethyl-3-oxabicyclo(4.1.0)hept-4-en-2-one

Chemical Property:

Vapor Pressure:0.059mmHg at 25°C
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:152.083729621
Heavy Atom Count:11
Complexity:250

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2C(C2(C)C)C(=O)O1
Isomeric SMILES:CC1=C[C@H]2[C@H](C2(C)C)C(=O)O1

Technology Process of (1R,6S)-4,7,7-Trimethyl-3-oxabicyclo(4.1.0)hept-4-en-2-one

There total 4 articles about (1R,6S)-4,7,7-Trimethyl-3-oxabicyclo(4.1.0)hept-4-en-2-one 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%

: 70223-33-5
cis-(-)-3-(2'-oxopropyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid

: 70174-49-1
(1R,Cis)-4,7,7-trimethyl-3-oxabicyclo-(4.1.0.)-hept-4-en-2-one

Guidance literature:: With amberlyst-15; acetic anhydride; at 30 ℃; for 3h;
DOI:10.1016/0040-4020(89)80108-5

Reference yield:

: 498-15-7,19079-29-9
(+)-Δ³-carene

: 70174-49-1
(1R,Cis)-4,7,7-trimethyl-3-oxabicyclo-(4.1.0.)-hept-4-en-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: O₂ / Co(acac)2

2: 70 percent / KMnO₄ / acetic acid; H₂O / 1 h / 25 °C

3: 85 percent / acetic anhydride, p-TsOH*2H₂O / benzene / 3 h / 0 - 5 °C

With potassium permanganate; oxygen; acetic anhydride; toluene-4-sulfonic acid; cobalt acetylacetonate; In water; acetic acid; benzene;
DOI:10.1016/S0040-4020(01)88177-1

Reference yield:

: 4017-81-6
(1S,3S,6R)-(-)-4-Caren-3α-ol

: 70174-49-1
(1R,Cis)-4,7,7-trimethyl-3-oxabicyclo-(4.1.0.)-hept-4-en-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: O₃, aq.H₂O₂ (35percent) / ethyl acetate / 12 h / 30 °C

2: 98 percent / Ac₂O, Amberlyst-15 / 3 h / 30 °C

With amberlyst-15; dihydrogen peroxide; acetic anhydride; ozone; In ethyl acetate;
DOI:10.1016/0040-4020(89)80108-5