(s)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile (2s,3s)-2,3-bis((4-methylbenzoyl)oxy)butanedioate

Base Information

Chemical Name:(s)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile (2s,3s)-2,3-bis((4-methylbenzoyl)oxy)butanedioate
CAS No.:128173-53-5
Molecular Formula:0C₂₀H₁₈O₈*C₂₀H₂₃FN₂O₂
Molecular Weight:535.592
Hs Code.:2926900005
Mol file:128173-53-5.mol

Synonyms:(s)-4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile (2s,3s)-2,3-bis((4-methylbenzoyl)oxy)butanedioate

Suppliers and Price of (s)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile (2s,3s)-2,3-bis((4-methylbenzoyl)oxy)butanedioate

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
(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrileDi-p-toluoyl-D-tartrateSalt(2:1)
5mg
$ 395.00

Biosynth Carbosynth
(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrileHemi D-(+)-di-p-toloyltartaric acidsalt
500 mg
$ 365.00

Biosynth Carbosynth
(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
5 mg
$ 300.00

Biosynth Carbosynth
(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrileHemi D-(+)-di-p-toloyltartaric acidsalt
250 mg
$ 210.00

Biosynth Carbosynth
(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
2 mg
$ 200.00

Biosynth Carbosynth
(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
1 mg
$ 125.00

Biosynth Carbosynth
(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrileHemi D-(+)-di-p-toloyltartaric acidsalt
100 mg
$ 105.00

Biosynth Carbosynth
(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrileHemi D-(+)-di-p-toloyltartaric acidsalt
50 mg
$ 60.00

Biosynth Carbosynth
(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
10 mg
$ 450.00

Biosynth Carbosynth
(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrileHemi D-(+)-di-p-toloyltartaric acidsalt
1 g
$ 634.00

Total 61 raw suppliers

Chemical Property of (s)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile (2s,3s)-2,3-bis((4-methylbenzoyl)oxy)butanedioate

Chemical Property:

Melting Point:134-135 °C
PSA：262.18000
LogP:7.75836
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:16
Exact Mass:728.27452367
Heavy Atom Count:53
Complexity:989

Purity/Quality:

99%, ^*data from raw suppliers

(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrileDi-p-toluoyl-D-tartrateSalt(2:1) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O
Isomeric SMILES:CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN(C)CCC[C@](C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O
Uses (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate is an impurity in the synthesis of Escitalopram (C505010), an inhibitor of serotonin (5-HT) uptake. Antidepressant.

Technology Process of (s)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile (2s,3s)-2,3-bis((4-methylbenzoyl)oxy)butanedioate

There total 27 articles about (s)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile (2s,3s)-2,3-bis((4-methylbenzoyl)oxy)butanedioate 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: 61.96%