CID 657320

Base Information

• Chemical Name: CID 657320
• CAS No.: 56296-78-7
• Molecular Formula: C17H18F3NO^.HCl
• Molecular Weight: 345.792
• Hs Code.: 29222990
• Mol file: 56296-78-7.mol

Synonyms:AKOS015896352

Chemical Property of CID 657320

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 1.47E-13mmHg at 25°C
• Melting Point: 158-159 °C
• Refractive Index: 1.63
• Boiling Point: 395.1 °C at 760 mmHg
• Flash Point: 192.8 °C
• PSA: 21.26000
• Density: 1.254g/cm³
• LogP: 5.62790
• Storage Temp.: Store at RT
• Solubility.: H2O: soluble (sparingly)
• Water Solubility.: Soluble in dimethylsulfoxide and water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 345.1107264
• Heavy Atom Count: 23
• Complexity: 308

Purity/Quality:

99.5%min ^*data from raw suppliers

Fluoxetine-d5 Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,N
• Statements: 22-38-41-50
• Safety Statements: 26-36/37/39-61-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [H+].CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.[Cl-]
• Description: Fluoxetine hydrochloride is a selective serotonin reuptake inhibitor (SSRI), it is adapted to the treatment of various depressive disorders, including mild or major depression, bipolar disorder depression, psychogenic depression and depressive neurosis. The mechanism is inhibiting neuronal uptake of serotonin from the synaptic cleft, increasing this neurotransmitter in the gap for practical use , thereby improving the emotional state,and treating depressive disorders. It also appears effective in the treatment of obesity.
• Uses: Fluoxetine hydrochloride is a selective serotonin reuptake inhibitor. It is used to treat major depressive disorder, bulimia nervosa (an eating disorder) obsessive-compulsive disorder, panic disorder and premenstrual dysphoric disorder (PMDD).
• Therapeutic Function: Antidepressant

Technology Process of CID 657320

There total 13 articles about CID 657320 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: 95.7%

3-methylamino-1-phenylpropan-1-ol (42142-52-9) + 4-chlorobenzotrifluoride (98-56-6) → N-methyl-3-[(4-trifluoromethyl)phenoxy]-3-phenyl propylamine hydrochloride (fluoxetine hydrochloride) + Adofen (56296-78-7)

Guidance literature:

With hydrogenchloride; potassium hydroxide; In sulfolane; water; toluene;

Reference yield: 95.0%

N-methyl-N-(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)benzamide → Adofen (56296-78-7)

Guidance literature:

N-methyl-N-(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)benzamide; With pyridine hydrogenfluoride; methoxybenzene; at 20 ℃; for 2h; Sealed tube;

With hydrogenchloride; In 1,4-dioxane; tert-butyl methyl ether; water; chemoselective reaction;

DOI:10.1002/anie.201800749

Reference yield: 90.0%

→ Adofen (56296-78-7)

Guidance literature:

upstream raw materials:

4-chlorobenzotrifluoride

C₁₈H₁₇NO₄

3,4-dihydroxy-4-phenyl-piperidine-1-carboxylic acid benzyl ester

(3-oxo-3-phenyl-propyl)-carbamic acid benzyl ester

Downstream raw materials:

(R)-fluoxetine

(S)-fluoxetine

N-methyl-N-(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)formamide

Refernces

• 1、 Adamo, Andrea,Beingessner, Rachel L.,Behnam, Mohsen,Chen, Jie,Jamison, Timothy F.,Jensen, Klavs F.,Monbaliu, Jean-Christophe M.,Myerson, Allan S.,Revalor, Eve M.,Snead, David R.,Stelzer, Torsten,Weeranoppanant, Nopphon,Wong, Shin Yee,Zhang, Ping. "On-demand continuous-flow production of pharmaceuticals in a compact, reconfigurable system". . p. 61 - 67. Retrieved 2016/04/26.
• 2、 -. "METHOD FOR THE PREPARATION OF N-METHYL-ARYLOXY-PROPANAMINE DERIVATIVES". Page/Page column 34-35. . Retrieved 2010/04/03.