ChemicalBook--->CAS DataBase List--->5680-79-5

5680-79-5

5680-79-5 Structure

5680-79-5 Structure
IdentificationMore
[Name]

Glycine methyl ester hydrochloride
[CAS]

5680-79-5
[Synonyms]

AMINOACETIC ACID METHYL ESTER HYDROCHLORIDE
GLYCINE METHYL ESTER HCL
GLYCINE METHYL ESTER HYDROCHLORIDE
GLYCINE METHYL ESTER HYDROCHLORIDE SALT
GLYCINE METHYL ESTER MONOHYDROCHLORIDE
GLYCINE-OME HCL
L-GLYCINE METHYL ESTER HYDROCHLORIDE
METHYL GLYCINATE HCL
METHYL GLYCINATE HYDROCHLORIDE
N-[(2-Thienyl)Ethyl]-(2S)-2-Chloro-PhenylGlycineMethylEster
Gly-OmeHCl
Glycinemethylesterhydrochloride,99%
Methyl aminoacetate,hydrochloride
Methylglyacinate chlorohydrate
Methyl glutamate
2-Aminoacetic acid methyl·hydrochloride
Glycine methyl·hydrochloric acid
[EINECS(EC#)]

227-139-1
[Molecular Formula]

C3H8ClNO2
[MDL Number]

MFCD00012870
[Molecular Weight]

125.55
[MOL File]

5680-79-5.mol
Chemical PropertiesBack Directory
[Appearance]

Crystalline
[Melting point ]

175 °C (dec.)(lit.)
[density ]

1.000
[storage temp. ]

-20°C
[solubility ]

>1000 g/L (20°C)
[form ]

Powder or Cyrstals
[color ]

White
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Water Solubility ]

>1000 g/L (20 ºC)
[Sensitive ]

Hygroscopic
[Detection Methods]

T
[BRN ]

3593644
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C3H7NO2.ClH/c1-6-3(5)2-4;/h2,4H2,1H3;1H
[InChIKey]

COQRGFWWJBEXRC-UHFFFAOYSA-N
[SMILES]

C(=O)(OC)CN.Cl
[CAS DataBase Reference]

5680-79-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P261-P280
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

29224995
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Sodium carbonate-->Glycine-->Hexamethylenetetramine-->Glycine ethyl ester hydrochloride-->methyl glycinate
[Preparation Products]

2-Ethylpiperazine-->(S)-3-TERT-BUTYL-2,5-PIPERAZINEDIONE-->1H-Azepine-4-carboxylicacid,hexahydro-,methylester,(4R)-(9CI)-->1H-Azepine-4-carboxylicacid,hexahydro-,methylester,(4S)-(9CI)-->TOLRESTAT-->METHYL N-ACETYLGLYCINATE-->Glycine, N-(phenylMethyl)-, Methyl ester-->Azidoacetic acid methyl ester-->N-Boc-N-methyl glycine methyl ester-->GLYCYL-L-PHENYLALANINE-->Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylate-->methyl 2-(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxamido)acetate-->N-(DIPHENYLMETHYLENE)GLYCINE METHYL ESTER
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl glycinate hydrochloride(5680-79-5).msds
Hazard InformationBack Directory
[Chemical Properties]

Crystalline
[Uses]

A Glycine ester, a non-essential amino acid for human development.
[reaction suitability]

reaction type: solution phase peptide synthesis
[Synthesis]

Methanol

67-56-1

Glycine

56-40-6

Glycine methyl ester hydrochloride

5680-79-5

(2) Preparation of glycine methyl ester hydrochloride: 60 mL of methanol was added to a 100 mL round-bottomed flask under ice-bath conditions, followed by the slow dropwise addition of 4 mL of sulfoxide chloride (SOCl2) through a constant-pressure dropping funnel (with a drying tube on top). The resulting off-gas was absorbed using NaOH solution. After stirring the reaction mixture for 1 h, 8 mmol of glycine was added and stirring was continued for 30 min at room temperature. Subsequently, the reaction system was warmed up to 66 °C and refluxed for 6 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) using 2% ninhydrin ethanol solution as a color developer until the disappearance of the raw material spot. After completion of the reaction, the solvent was removed by evaporation to give glycine methyl ester hydrochloride in 100% yield.

[Purification Methods]

Crystallise the ester salt from MeOH. [Werbin & Spoerri J Am Chem Soc 69 1682 1947, Beilstein 4 H 340, 4 III 1116.]
[References]

[1] Synthetic Communications, 1998, vol. 28, # 3, p. 471 - 474
[2] European Journal of Organic Chemistry, 2012, # 29, p. 5774 - 5788,15
[3] European Journal of Organic Chemistry, 2012, # 29, p. 5774 - 5788
[4] Patent: US2014/206741, 2014, A1. Location in patent: Paragraph 0131
[5] European Journal of Organic Chemistry, 2017, vol. 2017, # 3, p. 695 - 703
Spectrum DetailBack Directory
[Spectrum Detail]

Glycine methyl ester hydrochloride(5680-79-5)MS
Glycine methyl ester hydrochloride(5680-79-5)1HNMR
Glycine methyl ester hydrochloride(5680-79-5)13CNMR
Glycine methyl ester hydrochloride(5680-79-5)IR1
Glycine methyl ester hydrochloride(5680-79-5)IR2
Glycine methyl ester hydrochloride(5680-79-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Glycine methyl ester hydrochloride, 98%(5680-79-5)
[Alfa Aesar]

Glycine methyl ester hydrochloride, 99%(5680-79-5)
[Sigma Aldrich]

5680-79-5(sigmaaldrich)
[TCI AMERICA]

Glycine Methyl Ester Hydrochloride,>99.0%(T)(5680-79-5)
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