Boc-Gln(Xan)-OH

Base Information

• Chemical Name: Boc-Gln(Xan)-OH
• CAS No.: 55260-24-7
• Molecular Formula: C23H26 N2 O6
• Molecular Weight: 426.469
• Hs Code.: 2932 99 00
• European Community (EC) Number: 692-606-2
• DSSTox Substance ID: DTXSID00579120
• Mol file: 55260-24-7.mol

Synonyms:Boc-Gln(Xan)-OH;55260-24-7;N-Boc-N'-(9-xanthenyl)-L-glutamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(9H-xanthen-9-ylamino)pentanoic acid;N-Boc-N'-(9H-xanthen-9-yl)-L-glutamine;MFCD00066158;(S)-5-((9H-Xanthen-9-yl)amino)-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid;Boc-Gln pound Xant pound(c);DTXSID00579120;AMY22682;N-|A-t.-Boc-g-xanthyl-L-glutamine;AKOS015950977;FD21534;AS-15087;CS-0154531;N~2~-(tert-Butoxycarbonyl)-N-9H-xanthen-9-yl-L-glutamine;N-alpha-t-Butyloxycarbonyl-L-N-gamma-xantyl-glutamine (Boc-L-Gln(Xan)-OH)

Chemical Property of Boc-Gln(Xan)-OH

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 7.43E-19mmHg at 25°C
• Melting Point: 150 ºC (dec.)
• Boiling Point: 669.8oC at 760 mmHg
• PKA: 3.84±0.10(Predicted)
• Flash Point: 358.9oC
• PSA: 113.96000
• Density: 1.3g/cm3
• LogP: 4.53780
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 426.17908655
• Heavy Atom Count: 31
• Complexity: 639

Purity/Quality:

99% ^*data from raw suppliers

Boc-Gln(Xan)-OH Novabiochem . CAS 55260-24-7, molar mass 426.46 g/mol., Novabiochem ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CCC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)O
• Uses: Boc-Gln(Xan)-OH, is an amino acid derivative used in chemical synthesis and peptide chemistry.

Technology Process of Boc-Gln(Xan)-OH

There total 1 articles about Boc-Gln(Xan)-OH which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 39.0%

9-hydroxyxanthene (90-46-0) + Boc-Gln-OH (13726-85-7) → Nα-t-butoxycarbonyl-Nδ-xanthydryl-L-glutamine (55260-24-7)

Guidance literature:

In acetic acid; for 63h; Ambient temperature;

Reference yield: 87.0%

Nα-t-butoxycarbonyl-Nδ-xanthydryl-L-glutamine (55260-24-7) + L-lactyl-L-prolyl-N-methyl-D-leucine benzyl ester (291772-85-5) → N2-Boc-N5-xanthyl-L-glutaminyl-O-L-lactyl-L-prolyl-N-methyl-D-leucine benzyl ester (291772-86-6)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jo000253a

Reference yield: 26.0%

2-(4-(triphenylmethylthio)phenyl)acetic acid (883566-52-7) + 1-(tert-butoxycarbonyl)-L-proline (15761-39-4,59433-50-0) + N-tert-butoxycarbonyl-L-leucine (13139-15-6,53296-34-7) + L-N-Boc-Ala (15761-38-3) + Nα-t-butoxycarbonyl-Nδ-xanthydryl-L-glutamine (55260-24-7) → C30H44N6O8S

Guidance literature:

2-(4-(triphenylmethylthio)phenyl)acetic acid; With phosphorus tribromide; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; for 18h;

With triethylsilane; trifluoroacetic acid; In dichloromethane; water; N,N-dimethyl-formamide;

1-(tert-butoxycarbonyl)-L-proline; N-tert-butoxycarbonyl-L-leucine; L-N-Boc-Ala; N_α-t-butoxycarbonyl-N_δ-xanthydryl-L-glutamine; Further stages;

DOI:10.1002/anie.201607657

upstream raw materials:

9-hydroxyxanthene

Boc-Gln-OH

Downstream raw materials:

N²-Boc-N⁵-xanthyl-L-glutaminyl-O-L-lactyl-L-prolyl-N-methyl-D-leucine benzyl ester

H_.Val_.Gln_.Ala_.Ala_.Ile_.Asp_.Tyr_.Ile_.Asn_.Gly_.OH

C₅₂H₈₂N₁₄O₁₇S

Refernces