N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)

Base Information

• Chemical Name: N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)
• CAS No.: 13673-51-3
• Molecular Formula: C19H15 Cl5 N2 O5
• Molecular Weight: 528.603
• Hs Code.: 2924299090
• European Community (EC) Number: 237-155-0
• DSSTox Substance ID: DTXSID00159906
• Nikkaji Number: J81.661B
• Wikidata: Q76010056
• Mol file: 13673-51-3.mol

Synonyms:13673-51-3;N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate);EINECS 237-155-0;(2,3,4,5,6-pentachlorophenyl) (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate;C19H15Cl5N2O5;SCHEMBL10747541;DTXSID00159906;C19-H15-Cl5-N2-O5;benzyloxycarbonylglutamine pentachlorphenyl ester;N-Benzyloxycarbonyl-L-glutamine pentachlorophenyl ester;L-Glutamine, N(2)-((phenylmethoxy)carbonyl)-, pentachlorophenyl ester

Chemical Property of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)

Chemical Property:

• Vapor Pressure: 2.16E-21mmHg at 25°C
• Melting Point: 179-181 °C
• Boiling Point: 733.8°Cat760mmHg
• PKA: 10.53±0.46(Predicted)
• Flash Point: 397.6°C
• PSA: 112.20000
• Density: 1.538g/cm³
• LogP: 6.77360
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 527.939410
• Heavy Atom Count: 31
• Complexity: 621

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(CCC(=O)N)C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)N)C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

Technology Process of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)

There total 3 articles about N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) 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: 92.6%

trichloroacetic acid pentachlorophenyl ester (2879-60-9) + Cbz-L-Gln (2650-64-8) → Nα-Z-L-glutamine pentachlorophenyl ester (13673-51-3)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 0 - 10 ℃; for 0.25h;

Reference yield: 79.0%

Pentachlorophenol (87-86-5,67471-28-7) + Cbz-L-Gln (2650-64-8) → Nα-Z-L-glutamine pentachlorophenyl ester (13673-51-3)

Guidance literature:

With N-ethylmorpholine;; hexamethylphosphorous triamide dichloride; In acetone; at -20 ℃;

Reference yield:

→ N2-benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) (13673-51-3)

Guidance literature:

Benzyloxycarbonyl-L-glutamin/Triphenylphosphor, Pentachlorphenol/2,2'-Dipyridyldisulfid;

DOI:10.1016/S0040-4039(00)99997-0

upstream raw materials:

Pentachlorophenol

Cbz-L-Gln

trichloroacetic acid pentachlorophenyl ester

Downstream raw materials:

C₅₆H₇₇N₉O₁₅S₂

Fmoc-Cys(Bzl)-Met-Thr-Thr-Ala-Gln-Gly-O^tBu

Boc-Cys(Bzl)-Met-Thr(Bzl)-Thr(Bzl)-Ala-Gln-Gly-OH

Fmoc-Met-Thr(Bzl)-Thr(Bzl)-Ala-Gln-Gly-O^tBu

Refernces

• 1、 Tikhonov, Yu. N.,Trifonova, O. I.,Baranova, G. V.,Malakhova, I. S.,Shvachkin, Yu. P.. "NATURAL PEPTIDES AND THEIR ANALOGS XXI. SYNTHESIS OF PROTECTED PEPTIDES CORRESPONDING TO THE AMINO-ACID SEQUENCE 13-16 OF THE A CHAIN OF HUMAN INSULIN". . p. 371 - 374. Retrieved 2007/10/02.