Dibenzyl 2,6-diaminoheptanedioate--hydrogen chloride (1/1)

Base Information

• Chemical Name: Dibenzyl 2,6-diaminoheptanedioate--hydrogen chloride (1/1)
• CAS No.: 114331-06-5
• Molecular Formula: C21H26 N2 O4 . Cl H
• Molecular Weight: 406.9
• DSSTox Substance ID: DTXSID40921326
• Mol file: 114331-06-5.mol

Synonyms:DTXSID40921326;Dibenzyl 2,6-diaminoheptanedioate--hydrogen chloride (1/1)

Chemical Property of Dibenzyl 2,6-diaminoheptanedioate--hydrogen chloride (1/1)

Chemical Property:

• Vapor Pressure: 1.45E-11mmHg at 25°C
• Melting Point: 138-140 °C
• Boiling Point: 529.6°Cat760mmHg
• Flash Point: 274.1°C
• PSA: 90.65000
• Density: g/cm³
• LogP: 5.04700
• Storage Temp.: 0-6°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 406.1659350
• Heavy Atom Count: 28
• Complexity: 406

Purity/Quality:

98%,99%, ^*data from raw suppliers

Z-Lys-OBzl.HCl 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C(CCCC(C(=O)OCC2=CC=CC=C2)N)N.Cl

Technology Process of Dibenzyl 2,6-diaminoheptanedioate--hydrogen chloride (1/1)

There total 2 articles about Dibenzyl 2,6-diaminoheptanedioate--hydrogen chloride (1/1) 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: 92.0%

Nα-carbobenzoxy-Nε-tert-butoxycarbonyl-2,6-diaminohexanoyl benzyl ester (128972-27-0) → L-Lys(Z)-OBzl*HCl (114331-06-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; water; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.joc.7b03214

Reference yield:

Z-Lys(Boc)-OH (2389-60-8) + benzyl bromide (100-39-0) → L-Lys(Z)-OBzl*HCl (114331-06-5)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide / 2 h / 0 - 20 °C / Inert atmosphere

2: hydrogenchloride / 1,4-dioxane; water; dichloromethane / 4 h / 0 - 20 °C / Inert atmosphere

With hydrogenchloride; caesium carbonate; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.joc.7b03214

Reference yield:

C45H48F2O8 (1383731-61-0) + L-Lys(Z)-OBzl*HCl (114331-06-5) → C64H66F2N2O10

Guidance literature:

With magnesium sulfate; In 1,2-dichloro-ethane; Inert atmosphere; Reflux;

upstream raw materials:

Z-Lys(Boc)-OH

benzyl bromide

Nα-carbobenzoxy-Nε-tert-butoxycarbonyl-2,6-diaminohexanoyl benzyl ester

Downstream raw materials:

Z-Gly-Leu-Lys(-Z)-OCH₂Ph

(S)-6-Benzyloxycarbonylamino-2-[(R)-2-(2-benzyloxycarbonylamino-acetylamino)-4-methyl-pentanoylamino]-hexanoic acid benzyl ester

Gly-L-Phe-L-Lys

Gly-D-Phe-L-Lys

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