ChemicalBook--->CAS DataBase List--->486460-00-8

486460-00-8

486460-00-8 Structure

486460-00-8 Structure
IdentificationBack Directory
[Name]

BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID
[CAS]

486460-00-8
[Synonyms]

(3R)-N-Boc-3-amin
BOC- Butanoic Acid
Parecoxib SodiuM API
BOC-(R)-3-AMINO-4-(2
Sitagliptin Impurity 19
Sitagliptin Impurity 78
Sitagliptin interMediate
Sitagliptin interMediateB
Sitagliptin Intermediate 1
Sitagliptin EP Impurity 15
N-Boc Sitagliptin Acid Impurity
5-TRIFLUORO-PHENYL)-BUTYRIC ACID
Sitagliptin N-BOC Carboxylic Acid
(R)-Sitagliptin N-Boc-Acid IMpurity
BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENY
SITAGLIPTIN CAS 654671-78-0 INTERMEDIATES
Sitagliptin Imp-1(sitagliptin Impurity-A)
Sitagliptin N-BOC Carboxylic acid Impurity
Sitagliptin Acid Boc Impurity (Impurity A)
BOC-(R-)3-Amino-4(2,4,5-triflurophenyl)Butanoic acid
Boc-(R)-3-Amino-4-(2,4,5-trifluorphenyl)butanoic acid
Boc-(R)-3-Amino-4-(2,4,5-Trifluoro-Phenyl)-ButyricAci
(R)-Boc-3-Amino-4-(2,4,5-trifluorophenyl)butanoicacid
Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid
BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID
(R)-N-Boc-3-AMino-4-(2,4,5-trifluorophenyl)butanoic 
(R)-N-Boc-3-AMino-4-(2,4,5-trifluorophenyl)butanoic acid
(R)-3-(Boc-aMino)-4-(2,4,5-trifluorophenyl)butanoic acid
(3R)-N-Boc-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
Sitagliptin Impurity 19 ((R)-Sitagliptin N-Boc-Acid Impurity)
Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid, >=99%
[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluoro-(R)-be...
(3R)-N-(TERT-BUTOXYCARBONYL)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BU
(R)-3-(Tert-Butoxycarbonyl)-4-(2,4,5-Trifluorophenyl)Butanoic Acid
Boc-(R)-3-Amino-4-(2,4,5-Trifluoro-Phenyl)-Butyric Acid (Boc acid)
3(R)-tert-ButoxycarbonylaMino-4-(2,4,5-trifluoro-phenyl)-butyric acid
[[(1,1-diMethylethoxy)carbonyl]aMino]-2,4,5-trifluoro-(R)-benzenebuta
(Tert-Butoxy)Carbonyl (R)-3-Amino-4-(2,4,5-trifluoro-phenyl)-butyric acid
(R)-3-((tert-Butoxycarbonyl)aMino)-4-(2,4,5-trifluorophenyl)butanoic acid
(3R)-N-(TERT-BUTOXYCARBONYL)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID
BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID ISO 9001:2015 REACH
(3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(2,4,5-trifluorophenyl)butanoic acid
[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluoro-(R)-benzenebutanoic acid
(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,4,5-trifluorobenzenebutanoic acid
(3R) - N - (tert butoxycarbonyl) -3-amino-4- (2,4,5-trifluorophenyl) butyric acid
Boc-(R)-3-Amino-4-(2,4,5-Trifluorophenyl)Butanoic Acid / Sitagliptin Intermediate
(3R)-3-((1,1-DIMETHYLETHOXYCARBONYL)AMINO)-4-(2,4,5-TRIFLUROPHENYL)-BUTANOIC ACID
Benzenebutanoicacid,b-[[(1,1-diMethylethoxy)carbonyl]aMino]-2,4,5-trifluoro-,(bR)-
(3R)-3-(1,1-Dimethylethoxy carbonyl) amino]- 4-(2,4,5-trifluorophenyl) butanoic acid
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluoro-, (βR)-
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluoro-, (βR)-
(3R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2,4,5-trifluoro phenyl)butanoic acid [Sita Acid]
4-(6-{[(tert-butoxy)carbonyl]aMino}-1,2,5-trifluorocyclohexa-2,4-dien-1-yl)butanoic acid
Sitagliptin Impurity 19 (R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5- trifluorophenyl)butanoic acid
Sitagliptin impurity 19/(R)-Sitagliptin N-Boc-Acid Impurity/(R)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid
Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid (3R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
(3R)-N-(tert-Butoxycarbonyl)-3-aMino-4-(2,4,5-trifluorophenyl)-butanoic acid- Boc-(R)-3-AMino-4-(2,4,5-trifluorophenyl) butanoic acid (BOC acid)
[EINECS(EC#)]

691-120-8
[Molecular Formula]

C15H18F3NO4
[MDL Number]

MFCD06659147
[MOL File]

486460-00-8.mol
[Molecular Weight]

333.3
Questions And AnswerBack Directory
[Physical Form]

White to Yellow Solid
Chemical PropertiesBack Directory
[Melting point ]

136-138℃
[Boiling point ]

443.1±45.0 °C(Predicted)
[density ]

1.292±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.30±0.10(Predicted)
[color ]

White to Off-White
[Optical Rotation]

25.305°(C=0.01g/ mI, CHCL3 , 20°C, 589nm)
[InChI]

InChI=1/C15H18F3NO4/c1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16/h5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21)/t9-/s3
[InChIKey]

TUAXCHGULMWHIO-DJEYLCQNNA-N
[SMILES]

C(C1C=C(F)C(F)=CC=1F)[C@H](CC(=O)O)NC(=O)OC(C)(C)C |&1:10,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Description]

Boc-(R) -3-amino-4 -(2,4, 5-trifluorophenyl) butyric acid is an important intermediate for the preparation of sitagliptin. Sitagliptinphosphate is the first dipeptidase -IV(dpp-4) inhibitor approved by FDA in 2006. It is used for the treatment of type II diabetes mellitus. It has obvious hypoglycemic effect when used alone or in combination with metformin and pioglitazone, and it is safe to take, well tolerated, with few adverse reactions.
[Uses]

(R)-3-((tert-Butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic Acid has been used as a reactant for the preparation of dipeptidyl peptidase-4 (DPP4) inhibitors for the treatment of type 2 diabetes, such as sitagliptin.
[Synthesis]

(R)-β-tert-butoxycarbonylamino-2,4,5-trifluorophenylbutyric acid ethyl ester could used as a starting material and followed by adding Methanol and LiOHH2O as reaction reagents. Adding dichloromethane to the concentrate and adjust the pH to 2 with 2N HCl. Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid could be obtained through further purification.BOC-(R)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID
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