(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

Base Information

Chemical Name:(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H
CAS No.:17553-86-5
Molecular Formula:C10H12O2
Molecular Weight:164.204
Hs Code.:29142900
European Community (EC) Number:625-060-0
Nikkaji Number:J363.002A
Wikidata:Q1569765
Mol file:17553-86-5.mol

Synonyms:1,5(6H)-Indandione,7,7α-dihydro-7αβ-methyl-,(+)- (8CI);1H-Indene-1,5(6H)-dione, 2,3,7,7α-tetrahydro-7α-methyl-, (S)-;(+)-5,6,7,8-Tetrahydro-8-methylindan-1,5-dione;(+)-Hajos-Parrish diketone;(+)-Hajos-Parrish ketone;(S)-(+)-2,3,7,7α-Tetrahydro-7α-methyl-1H-indene-1,5(6H)-dione;(S)-(+)-Hajos-Parrish ketone;(S)-Hajos dione;(S)-Hajos ketone;(S)-Hajos-Wiechertketone;

Suppliers and Price of (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

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

TRC
(S)-(+)-5,6,7,8-Tetrahydro-8-methylindan-1,5-dione
5g
$ 305.00

TRC
(S)-(+)-5,6,7,8-Tetrahydro-8-methylindan-1,5-dione
1g
$ 85.00

Sigma-Aldrich
(S)-(+)-2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione 97%
1g
$ 71.80

Matrix Scientific
(7AS)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
25g
$ 945.00

Matrix Scientific
(7AS)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
10g
$ 441.00

Matrix Scientific
(7AS)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
5g
$ 238.00

J&W Pharmlab
(S)-(+)-7a-Methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione 96%
5g
$ 232.00

J&W Pharmlab
(S)-(+)-7a-Methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione 96%
1g
$ 58.00

J&W Pharmlab
(S)-(+)-7a-Methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione 96%
100g
$ 2970.00

J&W Pharmlab
(S)-(+)-7a-Methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione 96%
25g
$ 930.00

Total 23 raw suppliers

Chemical Property of (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

Chemical Property:

Appearance/Colour:white to beige crystalline powder
Vapor Pressure:0.001mmHg at 25°C
Melting Point:57-64 °C
Refractive Index:1.525
Boiling Point:310.608 °C at 760 mmHg
Flash Point:116.192 °C
PSA：34.14000
Density:1.138 g/cm³
LogP:1.64490
Storage Temp.:Refrigerator
Solubility.:Chloroform, Methanol
XLogP3:0.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:164.083729621
Heavy Atom Count:12
Complexity:288

Purity/Quality:

97% ^*data from raw suppliers

(S)-(+)-5,6,7,8-Tetrahydro-8-methylindan-1,5-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36/37/38-43
Safety Statements: 26-36/37-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC12CCC(=O)C=C1CCC2=O
Isomeric SMILES:C[C@]12CCC(=O)C=C1CCC2=O
General Description (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H, also known as the Hajos-Parrish ketone, is a versatile chiral building block widely used in asymmetric synthesis. It serves as a key intermediate in the enantioselective total synthesis of complex molecules such as ent-cholesterol and aplykurodinone-1, demonstrating its utility in stereoselective transformations. Additionally, derivatives of (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H have been explored for their pharmacological potential, particularly in modulating inotropic activity and Na⁺,K⁺ ATPase inhibition, with stereochemistry playing a critical role in biological activity. (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H's reactivity has also been leveraged in catalytic enantioselective aldol reactions and functionalization strategies, such as C-1 methylenation via dithiane intermediates.

Technology Process of (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

There total 53 articles about (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H 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: 95.0%

: 25112-78-1
2-methyl-2-(3-oxobutyl)-1,3-cyclopentanedione

: 17553-86-5,19576-08-0,20007-98-1,17553-89-8
(R)-7a-methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione

Guidance literature:: With CHF₃O₃S*C₁₀H₂₄N₂; 3-nitrobenzoic acid; at 20 ℃; for 12h; optical yield given as %ee; enantioselective reaction; Neat (no solvent);
DOI:10.1021/jo202433v