(R)-7a-Allyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione

Base Information

Chemical Name:(R)-7a-Allyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
CAS No.:161773-56-4
Molecular Formula:C₁₂H₁₄O₂
Molecular Weight:190.242
Hs Code.:
DSSTox Substance ID:DTXSID50565679
Nikkaji Number:J2.532.180D
Wikidata:Q82450900

Synonyms:161773-56-4;(R)-7a-Allyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione;starbld0033937;SCHEMBL11773497;DTXSID50565679;(7aR)-7a-(Prop-2-en-1-yl)-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione

Suppliers and Price of (R)-7a-Allyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione

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
Packaging
price

AK Scientific
(7Ar)-7a-(Prop-2-en-1-yl)-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
1g
$ 1477.00

Total 2 raw suppliers

Chemical Property of (R)-7a-Allyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione

Chemical Property:

PSA：34.14000
LogP:2.20110
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:190.099379685
Heavy Atom Count:14
Complexity:338

Purity/Quality:

99% ^*data from raw suppliers

(7Ar)-7a-(Prop-2-en-1-yl)-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C=CCC12CCC(=O)C=C1CCC2=O
Isomeric SMILES:C=CC[C@]12CCC(=O)C=C1CCC2=O

Technology Process of (R)-7a-Allyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione

There total 7 articles about (R)-7a-Allyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione 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: 80.0%

: 161773-62-2
2-allyl-2-(3-oxobutyl)cyclopentane-1,3-dione

: 147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7
L-proline

: 161773-56-4
7α-allyl-2,3,7,7α-tetrahydro-6H-indene-1,5-dione

Guidance literature:: With pyridinium p-toluenesulfonate; In acetonitrile; at 20 - 60 ℃; for 72h; Inert atmosphere;
DOI:10.1021/ol402906y

Reference yield: 77.0%

: 161773-62-2
2-allyl-2-(3-oxobutyl)cyclopentane-1,3-dione

: 161773-56-4
7α-allyl-2,3,7,7α-tetrahydro-6H-indene-1,5-dione

Guidance literature:: 2-allyl-2-(3-oxobutyl)cyclopentane-1,3-dione; With L-proline; In dimethyl sulfoxide; at 20 ℃; Inert atmosphere; Schlenk technique;

With perchloric acid; In water; at 90 ℃; for 1h; enantioselective reaction; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.7b00836

Reference yield:

: 3859-41-4
1,3-cyclopentadione

: 161773-56-4
7α-allyl-2,3,7,7α-tetrahydro-6H-indene-1,5-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / dppe; BSA; sodium acetate / allyl palladium chloride dimer / tetrahydrofuran / 70 °C

2: 54 percent / H₂O / 20 °C

3: (S)-5,6-dimethyl-2-(pyrrolidin-2-yl)-1H-benzimidazole; TFA / tetrahydrofuran

With benzenesulfonamide; sodium acetate; trifluoroacetic acid; 1,2-bis-(diphenylphosphino)ethane; (S)-5,6-dimethyl-2-(pyrrolidin-2-yl)-1H-benzo[d]imidazole; bis(η3-allyl-μ-chloropalladium(II)); In tetrahydrofuran; water; 3: Robinson annelation;
DOI:10.1002/ejoc.200600664