4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine

CAS NO.：623950-02-7
Empirical Formula: C17H24N2O5
Molecular Weight: 336.38
MDL number: MFCD20528368
EINECS: 633-600-1
SAFETY DATA SHEET (SDS)
Update Date: 2024-07-02 08:54:57

What is 4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine?

Description

4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine is a phenylalanine derivative. It is mainly used as a pharmaceutical intermediate component in the preparation of opioid modulators and eluxadoline.

The Uses of 4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine

4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine is an intermediate used to prepare potential Dual delta-opioid antagonist/μ-opioid agonist used in the treatment of diarrhea. Irritable bowel syndrome.

Properties of 4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine

Melting point:	>210℃
Boiling point:	497.1±45.0 °C(Predicted)
Density	1.201
storage temp.	2-8°C
pka	3.88±0.17(Predicted)
form	Solid
color	White to off-white
InChI	InChI=1S/C17H24N2O5/c1-9-6-11(14(18)20)7-10(2)12(9)8-13(15(21)22)19-16(23)24-17(3,4)5/h6-7,13H,8H2,1-5H3,(H2,18,20)(H,19,23)(H,21,22)/t13-/m0/s1
CAS DataBase Reference	623950-02-7

Safety information for 4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine

InChIKey	ZLUHLTMMROGKKD-ZDUSSCGKSA-N
SMILES	C(O)(=O)[C@H](CC1=C(C)C=C(C(N)=O)C=C1C)NC(OC(C)(C)C)=O

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product: (S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid

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product: 623950-02-7 (S)-2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethyl-phenyl)-propionic acid 98%

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