Sitagliptin phosphate monohydrate

  • CAS：654671-77-9
  • purity：99%
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1.What is the Sitagliptin phosphate monohydrate ?

Sitagliptin Phosphate Monohydrate is a dipeptidyl peptidase-IV (DPPIV) inhibitor.

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
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

sitagliptin phosphate monohydrate
654671-77-9

sitagliptin phosphate monohydrate

Conditions
Conditions Yield
Multi-step reaction with 4 steps
1: isopropyl alcohol; acetic acid / 18 h / 50 °C
2: sodium tetrahydroborate; formic acid / tetrahydrofuran / -30 °C
3: 20% palladium hydroxide-activated charcoal; hydrogen; acetic acid / methanol; water / 14 h / 50 °C / 7500.75 Torr
4: phosphoric acid; water / isopropyl alcohol / 20 - 75 °C
With sodium tetrahydroborate; formic acid; phosphoric acid; 20% palladium hydroxide-activated charcoal; water; hydrogen; acetic acid; In tetrahydrofuran; methanol; water; acetic acid; isopropyl alcohol;
Multi-step reaction with 4 steps
1: isopropyl alcohol; acetic acid / 18 h / 50 °C
2: sodium tetrahydroborate; acetic acid / tetrahydrofuran / 3 h / 20 °C
3: 20% palladium hydroxide-activated charcoal; hydrogen; acetic acid / methanol; water / 14 h / 50 °C / 7500.75 Torr
4: phosphoric acid; water / isopropyl alcohol / 20 - 75 °C
With sodium tetrahydroborate; phosphoric acid; 20% palladium hydroxide-activated charcoal; water; hydrogen; acetic acid; In tetrahydrofuran; methanol; water; acetic acid; isopropyl alcohol;
Multi-step reaction with 3 steps
1.1: ammonium acetate; ammonia / methanol; water / 2 h / 30 °C / Heating / reflux
2.1: (R, S) t-butyl Josiphos / chloro(1,5-cyclooctadiene)rhodium(I) dimer / methanol / 1 h / 20 °C
2.2: 13 h / 50 °C / 10343.2 Torr
3.1: phosphoric acid; water / isopropyl alcohol / 2 h / 68 - 75 °C
With phosphoric acid; ammonium acetate; ammonia; water; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In methanol; water; isopropyl alcohol;
(2,4,5-trifluorophenyl)acetic acid
209995-38-0

(2,4,5-trifluorophenyl)acetic acid

sitagliptin phosphate monohydrate
654671-77-9

sitagliptin phosphate monohydrate

Conditions
Conditions Yield
Multi-step reaction with 7 steps
1.1: triethylamine; magnesium chloride / acetonitrile / 30 - 50 °C / Inert atmosphere
1.2: 5.5 h / 30 °C / Inert atmosphere
2.1: hydrogen; dichloro[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II) / methanol; acetic acid / 70 °C / 3620.13 Torr / Inert atmosphere; Autoclave
3.1: lithium hydroxide; dicyclohexyl-carbodiimide / tetrahydrofuran; water; cis-1,2-Dichloroethylene / 3 h / 20 - 22 °C
3.2: 18.5 h / 10 - 20 °C
4.1: lithium hydroxide / tetrahydrofuran; water / 2.33 h / 20 - 25 °C / pH 3
4.2: 3 h / 0 - 5 °C
5.1: phosphoric acid / isopropyl alcohol / 16 h / 30 °C
6.1: sodium hydroxide / water / 1 h / 0 - 5 °C
7.1: phosphoric acid; water / water; isopropyl alcohol / 0.25 h
With dichloro[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II); phosphoric acid; water; hydrogen; triethylamine; dicyclohexyl-carbodiimide; sodium hydroxide; magnesium chloride; lithium hydroxide; In tetrahydrofuran; cis-1,2-Dichloroethylene; methanol; water; acetic acid; isopropyl alcohol; acetonitrile;
Multi-step reaction with 5 steps
1.1: dmap; N-ethyl-N,N-diisopropylamine / N,N-dimethyl acetamide / 20 - 40 °C
1.2: 2 - 3 h / 0 - 5 °C
2.1: N,N-dimethyl acetamide / 1 h / 40 - 70 °C
2.2: 3 - 5 h / 20 - 45 °C
3.1: ammonium acetate; ammonia / methanol; water / 2 h / 30 °C / Heating / reflux
4.1: (R, S) t-butyl Josiphos / chloro(1,5-cyclooctadiene)rhodium(I) dimer / methanol / 1 h / 20 °C
4.2: 13 h / 50 °C / 10343.2 Torr
5.1: phosphoric acid; water / isopropyl alcohol / 2 h / 68 - 75 °C
With dmap; phosphoric acid; ammonium acetate; ammonia; water; N-ethyl-N,N-diisopropylamine; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In methanol; N,N-dimethyl acetamide; water; isopropyl alcohol;

2.What is the CAS number for Sitagliptin phosphate monohydrate ?

The CAS number of Sitagliptin phosphate monohydrate is 654671-77-9.

More information of Sitagliptin phosphate monohydrate 654671-77-9 are:

CAS?Number

654671-77-9

Boiling Point

529.9 °C at 760 mmHg

Flash Point

274.3 °C

Vapor Pressure

2.59E-11mmHg at 25°C

HS CODE

29335990

PSA

173.84000

LogP

1.66180

3.What are another words for Sitagliptin phosphate monohydrate ?

Synonyms?for?Sitagliptin phosphate monohydrate 654671-77-9:7-[(3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine phosphate monohydrate;Sitagliptin phosphate;

4.What is the molecular formula of Sitagliptin phosphate monohydrate?

The chemical formula of ?Sitagliptin phosphate monohydrate is?C16H15F6N5O. H3PO4. H2O which containing 16 Carbon atoms,20 Hydrogen atoms,6 Fluorine atoms,5 Nitrogen atoms,1 Phosphorus atoms and 2 Oxygen atoms,and the molecular weight of??Sitagliptin phosphate monohydrate?is 523.329.

5.What is Sitagliptin phosphate monohydrate (654671-77-9) used for?

Sitagliptin phosphate monohydrate is a white crystalline compound that functions as a dipeptidyl peptidase-IV (DPPIV) inhibitor. It is a pharmaceutical agent used to manage blood glucose levels in patients with type 2 diabetes by enhancing the levels of insulin and reducing the production of glucagon.

InChI:InChI=1/C16H15F6N5O.H3O4P.H2O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1

Relevant articles related to Sitagliptin phosphate monohydrate:

Article

Source

A phosphoric acid west geleg sandbank crystal and its preparation and use

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Paragraph 0070; 0077; 0080; 0083; 0086; 0089; 0092; 0095, (2018/11/03)

SITAGLIPTIN, SALTS AND POLYMORPHS THEREOF

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, (2013/06/28)

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