Sitagliptin Hydrochloride

Base Information Edit

Chemical Name:Sitagliptin Hydrochloride
CAS No.:486459-71-6
Molecular Formula:C16H15F6N5O.ClH
Molecular Weight:443.77500
Hs Code.:
European Community (EC) Number:813-550-9
UNII:IEL0A0OS7E
ChEMBL ID:CHEMBL539077
Wikidata:Q27280690
Mol file:486459-71-6.mol

Synonyms:Sitagliptin Hydrochloride;486459-71-6;Sitagliptin monohydrochloride;IEL0A0OS7E;(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride;(R)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride;1,2,4-Triazolo(4,3-a)pyrazine, 7-((3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, monohydrochloride;1-Butanone, 3-amino-1-(5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)-, hydrochloride (1:1), (3R)-;Sitagliptin HCl;UNII-IEL0A0OS7E;CHEMBL539077;SCHEMBL1533793;Q27280690

Suppliers and Price of Sitagliptin Hydrochloride

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Sitagliptin Hydrochloride Edit

Chemical Property:

PSA：77.04000
LogP:3.45670
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:443.0947568
Heavy Atom Count:29
Complexity:566

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.Cl
Isomeric SMILES:C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.Cl

Technology Process of Sitagliptin Hydrochloride

There total 14 articles about Sitagliptin Hydrochloride 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: 97.0%

: 486460-00-8,922178-94-7
(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid

: 762240-92-6
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

: 486459-71-6
Sitagliptin hydrochloride

Guidance literature:: (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid; 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride; In N,N-dimethyl-formamide; for 0.166667h;

With 2-chloro-1,3-dimethylimidazolinium chloride; In N,N-dimethyl-formamide; at 20 - 25 ℃; for 5h; Reagent/catalyst;