alpha-Tocopherylhydroquinone

Base Information

Chemical Name:alpha-Tocopherylhydroquinone
CAS No.:14745-36-9
Deprecated CAS:14721-75-6,3687-68-1
Molecular Formula:C29H52 O3
Molecular Weight:448.73
Hs Code.:
UNII:1E697ND0NO
DSSTox Substance ID:DTXSID60884767
Nikkaji Number:J421.927I
Wikidata:Q27252318
NCI Thesaurus Code:C129014
ChEMBL ID:CHEMBL4301156
Mol file:14745-36-9.mol

Synonyms:2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzoquinol;alpha-tocopherol hydroquinone;alpha-tocopherol quinol;alpha-tocopherolhydroquinone;alpha-tocopherolquinol;THQ cpd (tocopherol)

Suppliers and Price of alpha-Tocopherylhydroquinone

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 7 raw suppliers

Chemical Property of alpha-Tocopherylhydroquinone

Chemical Property:

PSA：60.69000
LogP:8.14570
XLogP3:9.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:15
Exact Mass:448.39164552
Heavy Atom Count:32
Complexity:493

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=C(C(=C1O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)O)C
Isomeric SMILES:CC1=C(C(=C(C(=C1O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O)C

Technology Process of alpha-Tocopherylhydroquinone

There total 25 articles about alpha-Tocopherylhydroquinone 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: 100.0%

: 7559-04-8
2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dione

: 14745-36-9
2-((7R,11R)-3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate;
DOI:10.1021/jo00325a004

Reference yield:

: 59-02-9,18920-62-2
Tocopherol

: 14745-36-9
2-((7R,11R)-3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / ferric chloride / diethyl ether; methanol; H₂O / 0.5 h

2: 100 percent / H₂ / 5percent Pd/C / ethyl acetate

With hydrogen; iron(III) chloride; palladium on activated charcoal; In methanol; diethyl ether; water; ethyl acetate;
DOI:10.1021/jo00325a004

Reference yield:

: 150-86-7,844467-91-0
phytol

: 14745-36-9
2-((7R,11R)-3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol

Guidance literature:: Multi-step reaction with 9 steps

1: 85 percent / Ti(OCHMe₂)4 /Me₃COOH / D-(-)-DMT / CH₂Cl₂ / -20 °C

2: pyridine / 0 °C

3: methanol / 50 °C

4: LiAlH₄ / tetrahydrofuran / Heating

5: TsOH / Ambient temperature

6: SO₂Cl₂ / CH₂Cl₂ / -40 °C

7: Et₃N / CH₂Cl₂ / -40 - 20 °C

8: Raney Ni W₄ / ethanol / Heating

9: LiAlH₄ / diethyl ether / Ambient temperature

With pyridine; titanium(IV) isopropylate; lithium aluminium tetrahydride; sulfuryl dichloride; Dimethyl D-tartrate; Raney Ni W₄; toluene-4-sulfonic acid; triethylamine; Trimethylacetic acid; In tetrahydrofuran; methanol; diethyl ether; ethanol; dichloromethane;
DOI:10.1021/jo00233a047