(R)-Citadiol

Base Information

Chemical Name:(R)-Citadiol
CAS No.:481047-48-7
Molecular Formula:C₂₀H₂₃FN₂O₂
Molecular Weight:342.413
Hs Code.:
UNII:124W8V3MRM
DSSTox Substance ID:DTXSID60197425
Nikkaji Number:J2.015.547G
Wikidata:Q27251369
Mol file:481047-48-7.mol

Synonyms:(R)-Citadiol;Citadiol, (R)-;481047-48-7;UNII-124W8V3MRM;124W8V3MRM;(+)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile;(R)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl)-3-(hydroxymethyl)benzonitrile;4-[(1R)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;Benzonitrile, 4-((1R)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)-;SCHEMBL907577;DTXSID60197425;Q27251369;4-[(R)-1-Hydroxy-1-(4-fluorophenyl)-4-(dimethylamino)butyl]-3-(hydroxymethyl)benzonitrile

Suppliers and Price of (R)-Citadiol

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
(R)-Citadiol
50mg
$ 730.00

Total 6 raw suppliers

Chemical Property of (R)-Citadiol

Chemical Property:

Boiling Point:537.2±50.0 °C(Predicted)
PKA:12.97±0.29(Predicted)
PSA：67.49000
Density:1.22±0.1 g/cm3(Predicted)
LogP:2.76738
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:342.17435614
Heavy Atom Count:25
Complexity:456

Purity/Quality:

98% ^*data from raw suppliers

(R)-Citadiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O
Isomeric SMILES:CN(C)CCC[C@@](C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O
Uses (R)-Citadiol is an intermediate in the synthesis of (R)-Citalopram Oxalate (C505015), an inhibitor of serotonin (5-HT) uptake. Antidepressant.

Technology Process of (R)-Citadiol

There total 75 articles about (R)-Citadiol 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%

: 128173-53-5,912452-31-4
(1S)-4-[4-(dimethylamino)-1-(4'-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hemi-(+)-di-(p-toluoyl) tartaric acid salt

: 488787-59-3,219861-18-4,481047-48-7
(S)-(-)-4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxymethyl)benzonitrile

Guidance literature:: With sodium hydroxide; In diethyl ether; water; at 25 ℃; for 0.5h;

Reference yield: 96.4%

: C₁₇H₂₆N₂O₂Si

: 352-13-6
4-flourophenylmagnesium bromide

: 488787-59-3,219861-18-4,481047-48-7
(S)-(-)-4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxymethyl)benzonitrile

Guidance literature:: 4-flourophenylmagnesium bromide; With C₄₅H₅₅FeNP₂; copper dichloride; In toluene; at 60 ℃; for 1h; Inert atmosphere; Large scale;

C₁₇H₂₆N₂O₂Si; In toluene; at 60 ℃; for 12h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; Large scale;

Reference yield: 70.0%

: 103146-25-4,219861-18-4,481047-48-7
4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

: 488787-59-3,219861-18-4,481047-48-7
(S)-(-)-4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxymethyl)benzonitrile

Guidance literature:: 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile; With D-di-4-methylbenzoyl tartaric acid; In isopropyl alcohol; at 20 ℃; for 12h; Resolution of racemate;

With sodium hydroxide; In water; toluene;