Boc-D-Phe(3,4-Cl2)-OH , 98% , 114873-13-1

Synonym(s):
Boc-3,4-dichloro-D-phenylalanine

CAS NO.：114873-13-1

Empirical Formula: C14H17Cl2NO4

Molecular Weight: 334.2

MDL number: MFCD00151887

PRODUCT Properties

• Melting point: 120°C
• alpha: -15 º (c=1,MeOH)
• Boiling point: 478.1±45.0 °C(Predicted)
• Density: 1.3859 (rough estimate)
• refractive index: 1.6200 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• pka: 3.75±0.10(Predicted)
• form: Solid
• color: White to off-white
• optical activity: Consistent with structure
• BRN: 8428163
• Major Application: peptide synthesis
• InChI: 1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
• InChIKey: UGZIQCCPEDCGGN-LLVKDONJSA-N
• SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(O)=O
• CAS DataBase Reference: 114873-13-1(CAS DataBase Reference)

Description and Uses

N-Boc-D-3,4-dichlorophenylalanine is used to prepare fluorinated β-aminoacyl 1,2,4-triazolo[4,3-a]piperazine amides as dipeptidyl peptidase IV inhibitors and antidiabetic agents. It is also used in the synthesis of N-[(R,R)-(E)-1-(3,4-dichlorobenzyl)-3- (2-oxoazepan-3-yl)carbamoyl]allyl-N-methyl-3,5-bis(trifluoromethyl)benzamide as a potent and orally active dual neurokinin NK1/NK2 receptor antagonist.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• PPE: Eyeshields, Gloves, type N95 (US)
• Hazard Codes: Xi
• Safety Statements: 24/25
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29242990
• Storage Class: 11 - Combustible Solids