N-[(1,1-Dimethylethoxy)carbonyl]sarkosin

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

HCID 83692CAS 13734-36-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CN(CC(=O)O)C(=O)OC(C)(C)C
InChIKey: YRXIMPFOTQVOHG-UHFFFAOYSA-N
Summenformel: C8H15NO4
Durchschnittliche Molmasse: 189,21 g/mol
Monoisotopische Masse: 189,10010796

Namen und Bezeichner

Bevorzugter Name: Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
IUPAC: 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Lokaler Name: N-[(1,1-Dimethylethoxy)carbonyl]sarkosin
Englischer Name: BOC-SAR-OH
Summenformel: C8H15NO4
Molmasse: 189.21

Namen und Synonyme

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-N-(tert-butoxycarbonyl)-N-methylglycineEINECS 237-306-0[(tert-Butoxycarbonyl)(methyl)amino]acetic acidN-[(1,1-Dimethylethoxy)carbonyl]-N-methylglycineSARCOSINE,N-TERT.BUTYLOXYCARBONYLGlycine, N-((1,1-dimethylethoxy)carbonyl)-N-methyl-DTXSID9065603N-((1,1-Dimethylethoxy)carbonyl)-N-methylglycineN-((1,1-Dimethylethoxy)carbonyl)sarcosineN-[(1,1-dimethylethoxy)carbonyl]sarcosine((tert-Butoxycarbonyl)(methyl)amino)acetic acid

Weitere Namen anzeigen

BOC-SAR2-((tert-butoxycarbonyl)(Methyl)aMino)acetic acidBOC-MEGLY-OHBoc-L-Sar-OHBOC-N-ME-GLY-OHN-T-BOC-SARCOSINN-t-Boc-sarcosine

RefChem:663703DTXCID1034420237-306-0InChI=1/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11Boc-Sar-OH13734-36-6Boc-sarcosineN-Boc-sarcosine

Datenbank-Bezeichner

CAS: 13734-36-6
PubChem CID: 83692
DTXSID: DTXSID9065603
UNII: 4WGM9CR39Q
EC Number: 237-306-0
Nikkaji: J266.801G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 207

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-90 °C
Siedepunkt: 324.46 °C · 324.46°C (rough estimate)
Dichte: 1.2321 · 1.2321 (rough estimate)
Brechungsindex: 1.454 · 1.4540 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand: Crystals or Crystalline Powder
pka: 4.03 · 4.03±0.10(Predicted)
Farbe: White
BRN: 2046827 · 2046827
Stabilität: Hygroscopic
Major Application: peptide synthesis
InChI: InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)
InChIKey: YRXIMPFOTQVOHG-UHFFFAOYSA-N
SMILES: C(O)(=O)CN(C(OC(C)(C)C)=O)C
CAS Datenbank: 13734 · 13734-36-6(CAS DataBase Reference)
EPA chemische Informationen: Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl- (13734-36-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 16-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31806

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 21
wgk: 3
tsca: TSCA listed
hs_code: 29241990
safety_code: 24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationGlycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-: INACTIVE

Anwendungen

VerwendenBoc-N-methylglycine is used in the preparation of Clavatustide A (C563723) and Clavatustide B (C563725), which have been shown to suppress the proliferation of human hepatocellular carcinoma cells under specific conditions.