5K7Ulq8vdh

Base Information

Chemical Name:5K7Ulq8vdh
CAS No.:56954-96-2
Molecular Formula:C18H20O2
Molecular Weight:268.356
Hs Code.:
UNII:5K7ULQ8VDH
Nikkaji Number:J2.899.594F

Synonyms:5K7ULQ8VDH;Dianin's compound, (S)-;Dianin's compound, (-)-;UNII-5K7ULQ8VDH;(4S)-4-p-Hydroxyphenyl-2,2,4-trimethylchroman;4-(3,4-Dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)phenol, (-)-;4-(3,4-Dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)phenol, (S)-;Phenol, 4-((4S)-3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-;56954-96-2;S-Dianin's compound;racemic guest-free Dianin's compound;(S)-4-(4-Hydroxyphenyl)-2,2,4-trimethylchroman

Suppliers and Price of 5K7Ulq8vdh

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5K7Ulq8vdh

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:268.146329876
Heavy Atom Count:20
Complexity:343

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(C2=CC=CC=C2O1)(C)C3=CC=C(C=C3)O)C
Isomeric SMILES:C[C@]1(CC(OC2=CC=CC=C21)(C)C)C3=CC=C(C=C3)O

Technology Process of 5K7Ulq8vdh

There total 1 articles about 5K7Ulq8vdh 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: 75.52%

: (S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

: 56954-96-2
(4S)-4-p-hydroxyphenyl-2,2,4-trimethylchroman

Guidance literature:: (S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate; With water; sodium hydroxide; In methanol; for 2h;

In water; pH=2; Acidic aq. solution;
DOI:10.1039/c0cc02695f

Reference yield: 51.4%

: 56954-96-2
(4S)-4-p-hydroxyphenyl-2,2,4-trimethylchroman

: 16420-13-6
N,N-Dimethylthiocarbamoyl chloride

: 1062595-25-8
(S)-O-[p-(2,2,4-trimethylchroman-4-yl)phenyl]dimethylthiocarbamate

Guidance literature:: (4S)-4-p-hydroxyphenyl-2,2,4-trimethylchroman; With ethanol; sodium; Inert atmosphere;

N,N-Dimethylthiocarbamoyl chloride; In N,N-dimethyl-formamide; at 10 - 45 ℃; for 1.5h; Inert atmosphere;
DOI:10.1039/c0cc02695f