(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-iodophenyl)propanoic acid
Grundinformationen
- CAS
62129-44-6- Standard-SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)O- InChIKey
JZLZDBGQWRBTHN-NSHDSACASA-N- Summenformel
- C14H18INO4
- Durchschnittliche Molmasse
- 391,2 g/mol
- Monoisotopische Masse
- 391,02805606
Namen und Bezeichner
- Bevorzugter Name
- (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-iodophenyl)propanoic acid
- IUPAC
- (2S)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- Englischer Name
- BOC-4-IODO-L-PHENYLALANINE
- Summenformel
- C14H18INO4
- Molmasse
- 391.2
Namen und Synonyme
(2S)-2-{[(Tert-Butoxy)Carbonyl]Amino}-3-(4-Iodophenyl)Propanoic Acid(2S)-2-(((tert-butoxy)carbonyl)amino)-3-(4-iodophenyl)propanoic acidRefChem:397985N-tert-Butoxycarbonyl-4-iodo-L-phenylalanine873-148-4Boc-4-iodo-L-phenylalanine62129-44-6Boc-Phe(4-I)-OHBoc-L-4-Iodophenylalanine(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-iodophenyl)propanoic acidMFCD00037119n-boc-4-iodo-l-phenylalanine
Weitere Namen anzeigen
BOC-PHE(4-1)-OHBOC-L-PHE(4-I)BOC-PHE(P-I)-OHBOC-PI-L-PHE-OHBOC-L-PHE(4-I)-OHBOC-P-IODO-PHE-OHBOC-4-IODO-PHE-OH
(2S)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidN-(tert-Butoxycarbonyl)-4-iodo-(L)-phenylalanineM03184Boc-L-4-Iodophe(S)-2-(tert-Butoxycarbonylamino)-3-(4-iodophenyl)propanoic acidBoc-4'-iodo-L-Phe(2S)-2-(tert-butoxycarbonylamino)-3-(4-iodophenyl)propanoic acidBoc-pI-Phe-OH
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 75,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 346
Physikochemische Eigenschaften
- Schmelzpunkt
- 150 °C · ~150 °C (dec.)
- Siedepunkt
- 475.3 · 475.3±40.0 °C(Predicted)
- Dichte
- 1.56 · 1.560±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Powder
- pka
- 3.84 · 3.84±0.10(Predicted)
- Wasserlöslichkeit
- Slightly soluble in water.
- BRN
- 4503851 · 4503851
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
- InChIKey
- JZLZDBGQWRBTHN-NSHDSACASA-N
- SMILES
- C(O)(=O)[C@H](CC1=CC=C(I)C=C1)NC(OC(C)(C)C)=O
- CAS Datenbank
- 62129 · 62129-44-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Sicherheitsdaten
- F
- 8
- wgk
- 3
- hs_code
- 2922498590
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenN-Boc-4-iodo-L-phenylalanine is used as pharmaceutical intermediate. It is also used as a p-iodo phenyl alanine derivative with N-Boc protection.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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