Welcome to LookChem.com Sign In|Join Free
  • or
Home > Pharmaceutical > 764667 > 

764667-65-4

Basic Information
CAS No.: 764667-65-4
Name: (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one
Article Data: 33
Molecular Structure:
Molecular Structure of 764667-65-4 ((2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one)
Formula: C16H12F6N4O2
Molecular Weight: 406.287
Synonyms: 1,2,4-Triazolo[4,3-a]pyrazine,7-[1,3-dioxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-(9CI);4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one;7-[1,3-Dioxo-4-(2,4,5-trifluorophenyl)butyl]-3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine;
EINECS: 619-997-4
Density: 1.607 g/cm3
Melting Point: 82-84°C
Boiling Point: 513.902 °C at 760 mmHg
Flash Point: 264.598 °C
Appearance: brown oil
PSA: 68.09000
LogP: 2.19620
Synthetic route
764667-64-3

5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

762240-92-6

3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
With 4-methyl-morpholine In ethyl acetate for 6h; Reflux;98.1%
With N-ethyl-N,N-diisopropylamine In Isopropyl acetate at 85℃; for 4h;93.3%
With N-ethyl-N,N-diisopropylamine In Isopropyl acetate at 85℃; for 3.5h;92%
486460-21-3

3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

764667-64-3

5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
In N,N-dimethyl acetamide at 41.1℃; Kinetics; Further Variations:; Temperatures;91%
1256815-03-8

4-(2,4,5-trifluorophenyl)-3-oxobutanoic acid

486460-21-3

3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
Stage #1: 4-(2,4,5-trifluorophenyl)-3-oxobutanoic acid With oxalyl dichloride In dichloromethane at 10 - 35℃;
Stage #2: 3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine With triethylamine In dichloromethane at 0 - 15℃;
91%
2033-24-1

cycl-isopropylidene malonate

209995-38-0

(2,4,5-trifluorophenyl)acetic acid

762240-92-6

3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In acetonitrile at 45 - 55℃; Large scale reaction;
Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With trifluoroacetic acid In acetonitrile at 50 - 55℃; for 6h; Large scale reaction;
90%
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 20 - 50℃; for 2 - 3h;
Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In N,N-dimethyl acetamide at 40 - 70℃;
Stage #3: With sodium hydrogencarbonate In N,N-dimethyl acetamide; water at 20 - 45℃;
89%
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In acetonitrile at 20 - 50℃; for 2 - 3h;
Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With trifluoroacetic acid In acetonitrile at 40 - 55℃; for 6h;
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In ISOPROPYLAMIDE at 0 - 40℃; for 2 - 3h;
Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In ISOPROPYLAMIDE at 40 - 70℃;
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; N-ethyl-N,N-diisopropylamine In acetonitrile at 50℃;
Stage #2: With pivaloyl chloride In acetonitrile at 50℃; for 3.75h;
Stage #3: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With trifluoroacetic acid In acetonitrile at 55℃; for 6h;

4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one sodium salt

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
With hydrogenchloride In water; ethyl acetate at 25 - 30℃;90%
With hydrogenchloride In water; ethyl acetate at 25 - 30℃; for 0.5h;90%

3-oxo-3-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]propanenitrile

157911-56-3

2,4,5-trifluorobenzyl bromide

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
Stage #1: 2,4,5-trifluorobenzyl bromide With magnesium In tetrahydrofuran at 35 - 45℃; for 2.16667h;
Stage #2: 3-oxo-3-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]propanenitrile In tetrahydrofuran; toluene at 0 - 5℃; for 4h; Temperature;
89.5%
209995-38-0

(2,4,5-trifluorophenyl)acetic acid

762240-92-6

3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
Stage #1: (2,4,5-trifluorophenyl)acetic acid With cycl-isopropylidene malonate; N-ethyl-N,N-diisopropylamine; dmap In ISOPROPYLAMIDE at 20 - 40℃;
Stage #2: With pivaloyl chloride In ISOPROPYLAMIDE at 0 - 5℃; for 1 - 3h;
Stage #3: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In ISOPROPYLAMIDE at 40 - 70℃;
89%
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 0 - 40℃; for 2 - 3h;
Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In N,N-dimethyl acetamide at 40 - 70℃; for 1h;
2033-24-1

cycl-isopropylidene malonate

486460-21-3

3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

209995-38-0

(2,4,5-trifluorophenyl)acetic acid

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 50 - 55℃;
Stage #2: 3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine With trifluoroacetic acid In N,N-dimethyl acetamide at 55℃; for 6h;
84%
1151240-88-8

3-oxo-4-(2,4,5-trifluorophenyl)-butyric acid ethyl ester

486460-21-3

3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at 20℃; for 1h; Reagent/catalyst; Solvent; Temperature;82%
2033-24-1

cycl-isopropylidene malonate

2-(2,3,4-trifluorophenyl)acetic acid

762240-92-6

3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

764667-65-4

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Conditions
ConditionsYield
Stage #1: 2-(2,3,4-trifluorophenyl)acetic acid With 1,1'-carbonyldiimidazole In Isopropyl acetate at 45℃; for 0.166667h;
Stage #2: cycl-isopropylidene malonate In Isopropyl acetate at 20 - 40℃; for 25.5h;
Stage #3: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In Isopropyl acetate at 90℃; for 12h;
71%
Stage #1: 2-(2,3,4-trifluorophenyl)acetic acid With 1,1'-carbonyldiimidazole In ISOPROPYLAMIDE at 45℃; for 0.166667h;
Stage #2: cycl-isopropylidene malonate In ISOPROPYLAMIDE at 20 - 50℃; for 25h;
Stage #3: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In ISOPROPYLAMIDE at 90℃; for 12h;
69%
  • Display:default sort

    New supplier

  • 764667-65-4

  • Casno:

    764667-65-4

    764667-65-4

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    Bide Pharmatech Ltd., founded in 2007, is a high-tech company which focuses on pharmaceutical intermediates design, development, production and sales. With its own R&D center in Sh

  •  Bide Pharmatech Ltd

     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:021-61629020

    Address:Room 402, Building B, 326 Edison Road, Zhangjiang Hi-Tech Park, Pudong New Area

       Inquiry Now

  • 764667-65-4

  • Casno:

    764667-65-4

    764667-65-4

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one Basic information Product Name: (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4

    Our company engages in Electronic chemicals such as OLED,Photoresist chemical,Electrolyte additive and Intermediate Pharmaceutical production; development of noble metal catalysts,

  •  Henan Tianfu Chemical Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-371-55170693/55170694

    Address:Zhengzhou International Trade New Territory,Jinshui District,Zhengzhou ,China

       Inquiry Now

  • Pharmaceutical Grade CAS 764667-65-4 with competitive price

  • Casno:

    764667-65-4

    Pharmaceutical Grade CAS 764667-65-4 with competitive price

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 139.0-210.0

    WITH US,YOUR MONEY IN SAFE,YOUR BUSINESS IN SAFE 1)Quick Response Within 12 hours; 2)Quality Guarantee: All products are strictly tested by our QC, confirmed by QA and approved by third party lab in China, USA, Canada, Germany, UK, Italy, France et

    Zhuo Zhou Wen Xi Import and Export Co., Ltd. is a company mainly engaged in the export of pharmaceutical raw materials. Its parent company is (Wen Xi Pharma), including three subs

  •  Zhuozhou Wenxi import and Export Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-13111626072

    Address:Room 1710, Baoxin International Phase I, 19 Guanyun East Road, Zhuozhou, Hebei

       Inquiry Now

  • Sitagliptin Intermediate 764667-65-4 API Manufacturer

  • Casno:

    764667-65-4

    Sitagliptin Intermediate 764667-65-4 API Manufacturer

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Advantages: Hubei XinRunde Chemical Co., Ltd is a renowned pharmaceutical manufacturer. We can offer high quality products at competitive price in quick delivery with 100% custom pass guaranteed. Never stop striving to offer our best serv

    Hubei Xinrunde Chemical Co., Ltd. dedicated to the development, production and marketing of chemicals which is specialized in Organic compounds; Active Pharmaceutical Ingredient(s)

  •  Hubei Langyou International Trading Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:+8618874586545

    Address:No.43, Xinandu Industrial Park, East and West Lake District, Wuhan, Hubei, China

       Inquiry Now

  • 764667-65-4 1,2,4-TRIAZOLO[4,3-A]PYRAZINE

  • Casno:

    764667-65-4

    764667-65-4 1,2,4-TRIAZOLO[4,3-A]PYRAZINE

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    About us HK Luyunjia Chemical Industry Co.,Ltd is a high-tech company specializing in R&D and manufacturing of photoinitiators monomers and oligomers, UV absorbers and pharmaceutical intermediates, and pharmaceutical intermediates of generic dr

    Luyunjia Chemistry Xiamen Limited is a high-tech company specializing in R&D and manufacturing of photoinitiators monomers and oligomers, UV absorbers and pharmaceutical intermedia

  •  Luyunjia Chemistry Xiamen Limited

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-592-5360779

    Address:NO.3 Jiangtou West Road, Huli District, Xiamen, China

       Inquiry Now

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 764667-65-4

Production

 1.607 g/cm3

Specification

The (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one with the cas number 764667-65-4. It is also called (1)1,3-butanedione, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)- ; (2)1,3-butanedione, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)- ; (3)(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one 

 Properties of (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one:(1)ACD/LogP: 2.42 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1 ; (4)ACD/LogD (pH 7.4): 1 ; (5)ACD/BCF (pH 5.5): 8 ; (6)ACD/BCF (pH 7.4): 8 ; (7)ACD/KOC (pH 5.5): 149 ; (8)ACD/KOC (pH 7.4): 149 ; (9)#H bond acceptors: 6 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 68.09 Å2 ; (13)Index of Refraction: 1.58 ; (14)Molar Refractivity: 84.117 cm3 ; (15)Molar Volume: 252.865 cm3 ; (16)Polarizability: 33.347 ×10-24cm3 ; (17)Surface Tension: 41.752 dyne/cm ; (18)Density: 1.607 g/cm3 ; (19)Flash Point: 264.598 °C ; (20)Enthalpy of Vaporization: 78.542 kJ/mol ; (21)Boiling Point: 513.902 °C at 760 mmHg ; (22)Vapour Pressure: 0 mmHg at 25°C

You can still convert the following datas into molecular structure :
1. SMILES: Fc1cc(c(F)cc1F)CC(=O)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F
2. InChI: InChI=1/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2