3-Buten-2-one, 4-((1R,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-

Base Information

Chemical Name:3-Buten-2-one, 4-((1R,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-
CAS No.:35124-14-2
Molecular Formula:C14H22O
Molecular Weight:206.3239
Hs Code.:
UNII:3039381865
Nikkaji Number:J1.397.714C,J65.766B
Wikidata:Q27231267
Mol file:35124-14-2.mol

Synonyms:(-)-trans-alpha-irone;alpha-Irone, trans-(-)-;35124-14-2;(-)-(2R,6R)-trans-alpha-Irone;UNII-3039381865;3-Buten-2-one, 4-((1R,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-;trans-(-)-alpha-irone;trans-(?)-alpha-Irone;(2R,6R)-alpha-Irone;SCHEMBL9845682;(-)-TRANS-.ALPHA.-IRONE;.ALPHA.-IRONE, TRANS-(-)-;(-)-(2R,6R)-TRANS-.ALPHA.-IRONE;Q27231267;(3E)-4-[(1R,5R)-5,6,6-Trimethyl-2-methylenecyclohexane-1-yl]-3-butene-2-one

Suppliers and Price of 3-Buten-2-one, 4-((1R,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3-Buten-2-one, 4-((1R,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-

Chemical Property:

Vapor Pressure:0.00419mmHg at 25°C
Boiling Point:278.7°Cat760mmHg
Flash Point:118.4°C
PSA：17.07000
Density:0.914g/cm³
LogP:3.76010
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:206.167065321
Heavy Atom Count:15
Complexity:307

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC=C(C(C1(C)C)C=CC(=O)C)C
Isomeric SMILES:C[C@@H]1CC=C([C@H](C1(C)C)/C=C/C(=O)C)C

Technology Process of 3-Buten-2-one, 4-((1R,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)-

There total 14 articles about 3-Buten-2-one, 4-((1R,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, (3E)- 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: 60.0%

: (-)-(2R,4R,5S,6S)-4,5-epoxy-4,5-dihydro-α-irone

: 35124-14-2,54082-69-8
(-)-2R,6R-trans-α-irone

Guidance literature:: With chloro-trimethyl-silane; sodium iodide; In acetonitrile; at 20 ℃; for 0.5h;
DOI:10.1002/(SICI)1522-2675(19991215)82:12<2246::AID-HLCA2246>3.0.CO;2-3

Reference yield:

: 645-68-1,6754-31-0
pseudoirone

: 72074-86-3,54082-69-8
(+-)-4t-(2,5t,6,6-Tetramethyl-cyclohex-2-en-r-yl)-but-3-en-2-on

: 79-69-6,472-46-8,564-77-2,599-45-1,35124-13-1,35124-14-2,72074-85-2,72074-86-3,89888-03-9,90242-81-2,108032-56-0,108033-18-7,54082-69-8
(+/-)-α-Iron

Guidance literature:: With sulfuric acid; at 50 ℃;
DOI:10.1002/hlca.19470300625 DOI:10.1002/hlca.19480310331 DOI:10.1002/hlca.19490320637

Reference yield:

: 52567-96-1
3,6,7-trimethyl-oct-6-en-1-yn-3-ol

: 79-69-6,472-46-8,564-77-2,599-45-1,35124-13-1,35124-14-2,72074-85-2,72074-86-3,89888-03-9,90242-81-2,108032-56-0,108033-18-7,54082-69-8
(+/-)-α-Iron

Guidance literature:: Multi-step reaction with 5 steps

1: active iron; ethanol / Hydrogenation

2: pyridine; petroleum ether; PBr₃

3: potassium acetate; acetone / Verseifen des Acetats mit methylalkoholischer KOH

4: aluminium tert-butylate; benzene

5: aqueous sulfuric acid / 50 °C

With pyridine; ethanol; sulfuric acid; potassium acetate; phosphorus tribromide; iron; aluminum tri-tert-butoxide; acetone; Petroleum ether; benzene;
DOI:10.1002/hlca.19470300625