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88568-95-0

88568-95-0 Structure

88568-95-0 Structure
IdentificationMore
[Name]

(+/-)-BENZYLOXYCARBONYL-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER
[CAS]

88568-95-0
[Synonyms]

(+/-)-BENZYLOXYCARBONYL-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER
(+/-)-CBZ-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER
DL-Z-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER
(+/-)-METHYL 2-BENZYLOXYCARBONYLAMINO-2-(DIMETHOXYPHOSPHINYL)ACETATE
N-(BENZYLOXYCARBONYL)-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER
N-BENZYLOXYCARBONYLPHOSPHONOGLYCINE TRIMETHYL ESTER
N-BENZYLOXYCARBONYL TRIMETHYLPHOSPHONOGLYCINE
N-CBZ-2-METHYL (DIMETHYLPHOSPHONO) GLYCINATE
N-Z-PHOSPHONOGLYCINE TRIMETHYL ESTER
(+/-)-TRIMETHYL Z-ALPHA-PHOSPHONOGLYCINATE
(+/-)-Z-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER
Z-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER
(±)-Trimethyl Z-α-phosphonoglycinate
(±)-Z-α-Phosphonoglycine trimethyl ester
(+-)-N-cbz-A-phosphonoglycine trimethyl ester
N-(BENZYLOXYCARBONYL)-ALPHA-PHOSPHONO-GL
DL-alpha-Phosphonoglycinetrimethylester
CBZ-ALPHA-PHOSPHONO-DL-GLYCINE TRIMETHYL ESTER
(n)-benzyloxycarbonyl-à-phosphonoglycine trimethyl ester
(n)-cbz-à-phosphonoglycine trimethyl ester
[EINECS(EC#)]

629-458-5
[Molecular Formula]

C13H18NO7P
[MDL Number]

MFCD00043304
[Molecular Weight]

331.26
[MOL File]

88568-95-0.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

77-80 °C(lit.)
[Boiling point ]

480.5±45.0 °C(Predicted)
[density ]

1.284±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in methanol.
[form ]

Crystalline Powder
[pka]

9.42±0.46(Predicted)
[color ]

White
[BRN ]

5764460
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C13H18NO7P/c1-18-12(15)11(22(17,19-2)20-3)14-13(16)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,16)
[InChIKey]

GSYSFVSGPABNNL-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C(P(OC)(OC)=O)NC(OCC1=CC=CC=C1)=O
[CAS DataBase Reference]

88568-95-0(CAS DataBase Reference)
Questions And AnswerBack Directory
[Preparation]

A-phosphonoylglycine trimethyl ester was added to a round-bottom flask, and a 10% sodium carbonate aqueous solution was added and stirred to dissolve it. Then dioxane was added, and a 10% solution of 9-fluorenylmethoxycarbonyl chloride dioxane was slowly added dropwise to the reaction solution under ice bath conditions. After the addition was completed, the reaction was carried out in an ice bath for 2 hours, and then at room temperature for 8 hours. The solution was diluted with water and extracted 4 times with diethyl ether. The aqueous layer was placed in an ice bath, and the pH was adjusted with concentrated hydrochloric acid until Congo red paper turned blue. The solution was placed in a refrigerator overnight, and a white precipitate was obtained. The precipitate was extracted with ethyl acetate, and the combined organic liquids were washed with water. The organic layer was dried with anhydrous magnesium sulfate and then dried under vacuum to obtain (+/-)-BENZYLOXYCARBONYL-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335-H302
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Description]

(+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester is an important organic compound with the appearance of white to off-white powder to crystals, melting point of 78.0~ 82.0 °C, soluble in methanol, irritating to the eyes and skin, store in a cool, dry place in a closed Keep away from strong oxidising agents. Keep away from strong oxidising agents. It is mainly used in chemical industry and experimental research.
[Chemical Properties]

White crystalline powder
[Uses]

Starting material for the synthesis of (Z)-dehydroamino acids by Wittig-Horner reaction with aldehydes; the dehydroamino acids can be stereoselectively reduced to amino acids
[reaction suitability]

reaction type: solution phase peptide synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

(+/-)-BENZYLOXYCARBONYL-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER(88568-95-0)1HNMR
(+/-)-BENZYLOXYCARBONYL-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER(88568-95-0)Raman
(+/-)-BENZYLOXYCARBONYL-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER(88568-95-0)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

('±)-Methyl 2-benzyloxycarbonylamino-2-(dimethoxyphosphinyl)acetate, 95%(88568-95-0)
[Alfa Aesar]

(+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester, 97%(88568-95-0)
[Sigma Aldrich]

88568-95-0(sigmaaldrich)
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