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95885-13-5

95885-13-5

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95885-13-5 Usage

Chemical Properties

White powder

Uses

4-(2-Phenoxyethyl)-5-ethyl-1,2,4-triazol-3-one is used as a reagent to synthesize Nefazodone (N389100), a 5HT2-receptor antagonist and a serotonin selective reuptake inhibitor used to treat depression.

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

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

1-propionyl-4-(2-phenoxyethyl)semicarbazide

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

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

Conditions
ConditionsYield
With potassium hydroxide In water at 95 - 96℃; for 0.666667h;64%
With potassium hydroxide In hydrogenchloride; water
methyl <1-<(2-phenoxyethyl)amino>propylidene>hydrazinecarboxylate hydrochloride
99153-70-5, 103965-97-5, 103965-98-6

methyl <1-<(2-phenoxyethyl)amino>propylidene>hydrazinecarboxylate hydrochloride

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

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

Conditions
ConditionsYield
With sodium hydroxide 1) water-methylene chloride, 2) xylene, reflux, 2.5 h; Yield given. Multistep reaction;
2-phenoxyethylisocyanate
4747-92-6

2-phenoxyethylisocyanate

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

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

Conditions
ConditionsYield
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
N-(2-phenoxyethyl)propionamide
99153-71-6

N-(2-phenoxyethyl)propionamide

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

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

Conditions
ConditionsYield
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

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

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

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

Conditions
ConditionsYield
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
3-phenoxypropionyl hydrazide hydrochloride
103965-96-4

3-phenoxypropionyl hydrazide hydrochloride

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

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

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

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

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

1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride

nefazadone
83366-66-9

nefazadone

Conditions
ConditionsYield
With sodium hydroxide In isopropyl alcohol for 7h; Heating;84%
5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one
95885-13-5

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

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

1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine hydrochloride

BMY 13754
82752-99-6

BMY 13754

Conditions
ConditionsYield
With hydrogenchloride; sodium hydroxide In dichloromethane; isopropyl alcohol62.5%
chloropropanol

chloropropanol

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

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

BMS-183562
95884-50-7

BMS-183562

Conditions
ConditionsYield
With potassium carbonate In water; acetonitrile

95885-13-5Relevant articles and documents

Synthesis and X-ray crystal structure of a 2,4,5-trisubstituted 1,2,4-triazolin-3-one

Madding,Smith,Sheldon,Lee

, p. 1121 - 1126 (2007/10/02)

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