Fmoc-Thr(Trt)-OH - ≥98% , CAS No.133180-01-5

CAS: 133180-01-5 Cat. No.: F478670 Molecular Weight: 583.67 EC Number: 812-920-7

GRADE & PURITY ≥98%

Synonyms

N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-trityl-L-threonine | SCHEMBL1738680 | (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxybutanoic acid | (2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(trityloxy)butanoicacid | (2S,3R)-2-(((9H-flu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

The side-chain Trt group can be selectively removed with 1% TFA in DCM containing 5% TIS, enabling the side-chain hydroxyl group to be selectively modified whilst the derivative is attached to the solid support. This is an excellent derivative for the synthesis of phosphothreonine containing peptides and peptides modified at the threonine side-chain [1]. The use of trityl protected amino acids was shown to result in purer products than when standard t-Bu protected amino acids were utilized [2].The product number for this product was previously 04-12-1141..

Specifications

Synonyms

N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-trityl-L-threonine | SCHEMBL1738680 | (2S, 3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxybutanoic acid | (2S, 3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(trityloxy)butanoicacid | (2S, 3R)-2-(((9H-flu

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197250
• Canonical Smiles: CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
• IUPAC Name: (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxybutanoic acid
• InChIKey: JARBLLDDSTVWSM-IJAHGLKVSA-N
• INCHI: 1S/C38H33NO5/c1-26(44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29)35(36(40)41)39-37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34/h2-24,26,34-35H,25H2,1H3,(H,39,42)(H,40,41)/t26-,35+/m1/s1
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
• Molecular Weight: 583.67
• Reaxy-Rn: 10615472
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10615472&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Fluorenes Alpha amino acids and derivatives Benzylethers Carbamate esters Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenyl compound - Fluorene - Alpha-amino acid or derivatives - Benzylether - Monocyclic benzene moiety - Carbamic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Melt Point(°C): 70-85℃
• Molecular Weight: 583.700 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 583.236 Da
• Monoisotopic Mass: 583.236 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 868.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1