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5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one is a white powder chemical compound that serves as a crucial reagent in the synthesis of Nefazodone, a medication used for treating depression.

95885-13-5

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Basic information
1. Product Name: EPT
2. Synonyms: 5-ETHYL-2,4-DIHYDRO-4-(2-PHENOXYETHYL)-3H-1,2,4-TRIAZOLE-3-ONE;5-ETHYL-4-(2-PHENOXYETHYL)-1,2,4-TRIAZOL-3-ONE;5-ETHYL-4-(2-PHENOXYETHYL)-2H-1,2,4-TRIAZOL 3(4H)-ONE;5-ETHYL-4-(2-PHENOXYETHYL)-2H-1,2,4-TRIAZOL-3-ONE;5-Ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazole-3-(4H)-one;EPT;5-Ethyl-2,4-Dihydro-4-(2-Phenoxyethyl)-3h-1,2,4-Triazol-3-One;5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazole-3-one (EPT)
3. CAS NO:95885-13-5
4. Molecular Formula: C₁₂H₁₅N₃O₂
5. Molecular Weight: 233.27
6. EINECS: 414-470-3
7. Product Categories: (intermediate of nefazodone hcl)
8. Mol File: 95885-13-5.mol
Chemical Properties
1. Melting Point: 136-140°C
2. Boiling Point: N/A
3. Flash Point: N/A
4. Appearance: /
5. Density: 1.21 g/cm³
6. Refractive Index: 1.591
7. Storage Temp.: Refrigerator
8. Solubility: Chloroform (Slightly), Methanol (Slightly)
9. PKA: 8.98±0.20(Predicted)
10. CAS DataBase Reference: EPT(CAS DataBase Reference)
11. NIST Chemistry Reference: EPT(95885-13-5)
12. EPA Substance Registry System: EPT(95885-13-5)
Safety Data
1. Hazard Codes: Xn
2. Statements: 22-36/37/38
3. Safety Statements: 26-36/37/39
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 95885-13-5(Hazardous Substances Data)

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95885-13-5 Suppliers

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95885-13-5 Usage

Uses

Used in Pharmaceutical Industry:
5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one is used as a reagent for synthesizing Nefazodone (N389100), a 5HT2-receptor antagonist and a serotonin selective reuptake inhibitor. 5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one plays a significant role in the development and production of antidepressant medications, specifically targeting the treatment of depression by modulating serotonin levels in the brain.

Check Digit Verification of cas no

The CAS Registry Mumber 95885-13-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,5,8,8 and 5 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 95885-13:
(7*9)+(6*5)+(5*8)+(4*8)+(3*5)+(2*1)+(1*3)=185
185 % 10 = 5
So 95885-13-5 is a valid CAS Registry Number.

InChI:InChI=1/C12H15N3O2/c1-2-11-13-14-12(16)15(11)8-9-17-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16)

95885-13-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name	3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one

1.2 Other means of identification

Product number	-
Other names	5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazole-3-one (EPT)

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:95885-13-5 SDS

95885-13-5Synthetic route

: 95885-12-4
1-propionyl-4-(2-phenoxyethyl)semicarbazide

: 95885-13-5
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

Conditions

Conditions	Yield
With potassium hydroxide In water at 95 - 96℃; for 0.666667h;	64%
With potassium hydroxide In hydrogenchloride; water

: 99153-70-5, 103965-97-5, 103965-98-6
methyl <1-<(2-phenoxyethyl)amino>propylidene>hydrazinecarboxylate hydrochloride

: 95885-13-5
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

Conditions

Conditions	Yield
With sodium hydroxide 1) water-methylene chloride, 2) xylene, reflux, 2.5 h; Yield given. Multistep reaction;

: 4747-92-6
2-phenoxyethylisocyanate

: 95885-13-5
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / 0.25 h / ice bath 2: 64 percent / KOH / H2O / 0.67 h / 95 - 96 °C View Scheme

: 99153-71-6
N-(2-phenoxyethyl)propionamide

: 95885-13-5
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: phosgene, imidazole / CH2Cl2 / 2.5 h / 25 °C 2: CH2Cl2 / 16 h / 25 °C 3: 1) 50percent aq. NaOH / 1) water-methylene chloride, 2) xylene, reflux, 2.5 h View Scheme

: N-(2-Phenoxy-ethyl)-propionimidoyl chloride; hydrochloride

: 95885-13-5
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: CH2Cl2 / 16 h / 25 °C 2: 1) 50percent aq. NaOH / 1) water-methylene chloride, 2) xylene, reflux, 2.5 h View Scheme

: 103965-96-4
3-phenoxypropionyl hydrazide hydrochloride

: 95885-13-5
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1) NaNO2, aq.HCl / 1) water, toluene, ice- bath, 20 min, 2) toluene, steam bath 2: toluene / 0.25 h / ice bath 3: 64 percent / KOH / H2O / 0.67 h / 95 - 96 °C View Scheme

: 95885-13-5
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

: 52605-52-4
1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride

: 83366-66-9
nefazadone

Conditions

Conditions	Yield
With sodium hydroxide In isopropyl alcohol for 7h; Heating;	84%

: 95885-13-5
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

: 52605-52-4
1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride

: 82752-99-6
BMY 13754

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In dichloromethane; isopropyl alcohol	62.5%

: chloropropanol

: 95885-13-5
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one

: 95884-50-7
BMS-183562

Conditions

Conditions	Yield
With potassium carbonate In water; acetonitrile

95885-13-5Upstream product

95885-13-5Downstream Products

95885-13-5Relevant academic research and scientific papers

1,2,4-TRIAZOL-3-ONE ANTIDEPRESSANTS

-

, (2008/06/13)

Phenoxyalkyl substituted-1,2,4-triazolones having anti-depressant properties typified by 2-3-4-(3-chlorophenyl)-1-piperazinyl!propyl!-5-ethyl-4-(2-phenoxyethyl)-2H-1,2, 4-triazol-3(4H)-one are disclosed.

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95885-13-5

Basic information

Chemical Properties

Safety Data

95885-13-5 Suppliers

Recommended suppliers

95885-13-5 Usage

Uses

Check Digit Verification of cas no

95885-13-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

1.Identification

1.1 GHS Product identifier

1.2 Other means of identification

1.3 Recommended use of the chemical and restrictions on use

1.4 Supplier's details

1.5 Emergency phone number

95885-13-5Synthetic route

95885-13-5Upstream product

95885-13-5Downstream Products

95885-13-5Relevant academic research and scientific papers

1,2,4-TRIAZOL-3-ONE ANTIDEPRESSANTS

-

, (2008/06/13)