3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one

Base Information

Chemical Name:3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one
CAS No.:66102-90-7
Molecular Formula:C16H22O4S
Molecular Weight:310.414
Hs Code.:
DSSTox Substance ID:DTXSID10401504
Nikkaji Number:J1.720.840C

Synonyms:66102-90-7;ST50974764;3,3'-dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one;DTXSID10401504;AKOS024350441

Suppliers and Price of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-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
Packaging
price

Total 1 raw suppliers

Chemical Property of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one

Chemical Property:

PSA：99.90000
LogP:4.03700
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:310.12388035
Heavy Atom Count:21
Complexity:517

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=C(C(=O)C1)SC2=C(CC(CC2=O)(C)C)O)O)C

Technology Process of 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one

There total 5 articles about 3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-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: 85.0%

: 955402-05-8
5,5-dimethyl-2-sulfanylcyclohexan-1,3-dion

: 1195-91-1
2-bromodimedone

: 66102-90-7
3,3'-dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one

Guidance literature:: In ethanol; for 0.25h; Heating;
DOI:10.1002/hlca.200790169

Reference yield: 76.9%

: 126-81-8
dimedone

: 66102-90-7
3,3'-dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one

Guidance literature:: With pyridine; Phthalic acid dibutyl ester; In N,N-dimethyl-formamide; at 80 - 90 ℃; for 3h;
DOI:10.1021/jo00378a001

Reference yield:

: 2-{[amino(iminio)methyl]sulfanyl}-5,5-dimethyl-3-oxocyclohex-1-en-1-olat

: 66102-90-7
3,3'-dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: aq. NaOH / 0.5 h / 40 - 50 °C

1.2: 83 percent / aq. HCl / pH 2 - 3

2.1: 85 percent / aq. ethanol / 0.25 h / Heating

With sodium hydroxide; In ethanol;
DOI:10.1002/hlca.200790169