(1S)-1,2-Dimethylcyclohexa-2,5-diene-1-carboxylic acid

Base Information

Chemical Name:(1S)-1,2-Dimethylcyclohexa-2,5-diene-1-carboxylic acid
CAS No.:252891-36-4
Molecular Formula:C9H12 O2
Molecular Weight:152.19
Hs Code.:
DSSTox Substance ID:DTXSID60557621
Mol file:252891-36-4.mol

Synonyms:252891-36-4;(1S)-1,2-Dimethylcyclohexa-2,5-diene-1-carboxylic acid;DTXSID60557621

Suppliers and Price of (1S)-1,2-Dimethylcyclohexa-2,5-diene-1-carboxylic acid

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

Total 1 raw suppliers

Chemical Property of (1S)-1,2-Dimethylcyclohexa-2,5-diene-1-carboxylic acid

Chemical Property:

PSA：37.30000
LogP:1.98350
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:152.083729621
Heavy Atom Count:11
Complexity:238

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCC=CC1(C)C(=O)O
Isomeric SMILES:CC1=CCC=C[C@]1(C)C(=O)O

Technology Process of (1S)-1,2-Dimethylcyclohexa-2,5-diene-1-carboxylic acid

There total 2 articles about (1S)-1,2-Dimethylcyclohexa-2,5-diene-1-carboxylic acid 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: 91.0%

: 115513-42-3
((S)-1,2-dimethylcyclohexa-2,5-dien-1-yl)((S)-2-(hydroxymethyl)pyrrolidin-1-yl)methanone

: 252891-36-4
(S)-1,2-dimethylcyclohexa-2,5-dienecarboxylic acid

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; water; at 100 ℃; for 4h; optical yield given as %ee;
DOI:10.1002/anie.201103450

Reference yield:

: 1334441-33-6
((S)-2-(((tert-butyldimethylsilyl)oxy)methyl)pyrrolidin-1-yl)((S)-1,2-dimethylcyclohexa-2,5-dien-1-yl)methanone

: 252891-36-4
(S)-1,2-dimethylcyclohexa-2,5-dienecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: tetrabutyl ammonium fluoride / tetrahydrofuran / 4 h / 20 °C

2: hydrogenchloride / 1,4-dioxane; water / 4 h / 100 °C

With hydrogenchloride; tetrabutyl ammonium fluoride; In tetrahydrofuran; 1,4-dioxane; water;
DOI:10.1002/anie.201103450

Reference yield: 80.0%

: 90-14-2
1-Iodonaphthalene

: 252891-36-4
(S)-1,2-dimethylcyclohexa-2,5-dienecarboxylic acid

: 1334441-64-3
(S)-1-(3,4-dimethylcyclohexa-2,4-dien-1-yl)naphthalene

Guidance literature:: With (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one palladium(II) complex; caesium carbonate; In toluene; at 110 ℃; for 26h; optical yield given as %ee; enantiospecific reaction; Inert atmosphere;
DOI:10.1002/anie.201103450