N-Boc-L-serine methyl ester

HCID 7019177CAS 2766-43-0

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Grundinformationen

Standard-SMILES: COC(=O)[C@H](CO)NC(=O)OC(C)(C)C
InChIKey: SANNKFASHWONFD-LURJTMIESA-N
Summenformel: C9H17NO5
Durchschnittliche Molmasse: 219,23 g/mol
Monoisotopische Masse: 219,11067264

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: N-Boc-L-serine methyl ester
IUPAC: methyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Englischer Name: Boc-L-serine methyl ester
Summenformel: C9H17NO5
Molmasse: 219.24

Namen und Synonyme

2766-43-0N-(tert-Butoxycarbonyl)-L-serine methyl esterN-Boc-L-serine Methyl Ester7UGR7X7P8GN-tert-Butyloxycarbonyl-L-serine methyl esterRefChem:828690690-499-7Boc-Ser-OMeBoc-L-serine methyl esterBoc-L-Ser-OMe(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoateMFCD00191869

Weitere Namen anzeigen

Boc-Ser-MeBOC-SERINE-OMEDL-(4-NO2)-PheBoc-DL-Ser.oMe

N-tert-butoxycarbonyl-L-serine Methyl Estermethyl (tert-butoxycarbonyl)-L-serinateL-Serine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl estermethyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoatemethyl N-(tert-butoxycarbonyl)-L-serinateSCHEMBL313780N-Boc-(S)-serine methyl esterDTXSID30427089

Datenbank-Bezeichner

CAS: 2766-43-0
PubChem CID: 7019177
DTXSID: DTXSID30427089
ChEMBL: CHEMBL1222065
UNII: 7UGR7X7P8G
EC Number: 690-499-7
Nikkaji: J465.575C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 84,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 15
Formalladung: 0
Komplexität: 233

Physikochemische Eigenschaften

Siedepunkt: 354.3 · 354.3±32.0 °C(Predicted)
Dichte: 1.082 g/mL · 1.082 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.452(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka: 10.7 · 10.70±0.46(Predicted)
Aggregatzustand: Liquid or Oil
Farbe: Colorless to yellow
Wasserlöslichkeit: Slightly soluble in water.
BRN: 3545389 · 3545389
Major Application: peptide synthesis
InChI: 1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
InChIKey: SANNKFASHWONFD-LURJTMIESA-N
SMILES: COC(=O)[C@H](CO)NC(=O)OC(C)(C)C
CAS Datenbank: 2766 · 2766-43-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Danger

H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (25%)

Sicherheitsdaten

wgk: 3
hs_code: 29241990
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenBoc-L-serine methyl ester is a derivative of L-Serine Methyl Ester Hydrochloride (S271005) derivative. Boc-L-serine methyl ester is an amino acid derivative used in the preparation of Tn antigen, L-glutamic acid p-nitroanilide analogs and new biomedical polymers having Serine and Threonine side groups.