(2S)-2-[bis(carboxymethyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Base Information

• Chemical Name: (2S)-2-[bis(carboxymethyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
• CAS No.: 113231-04-2
• Molecular Formula: C18H24N2O8
• Molecular Weight: 396.397
• DSSTox Substance ID: DTXSID80427731
• Nikkaji Number: J1.911.269A
• Wikidata: Q82240413
• Mol file: 113231-04-2.mol

Synonyms:113231-04-2;N6-Carbobenzyloxy-N2,N2-bis(carboxymethyl)-L-lysine;(S)-2,2'-((5-(((Benzyloxy)carbonyl)amino)-1-carboxypentyl)azanediyl)diacetic acid;N6-Cbz-N2,N2-bis(carboxymethyl)-L-lysine;(2S)-2-[bis(carboxymethyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid;AC1OFBZX;MFCD27977806;SCHEMBL15844493;DTXSID80427731;RKSASMXBVVMAAS-AWEZNQCLSA-N;N2,N2-Bis(carboxymethyl)-N6-[(phenylmethoxy)carbonyl]-L-lysine;BS-51246;CS-0149836;Y14605;A921743;J-002924

Chemical Property of (2S)-2-[bis(carboxymethyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Chemical Property:

• Melting Point: 173-175°C
• Boiling Point: 692.2±55.0 °C(Predicted)
• PKA: 1.67±0.10(Predicted)
• PSA: 156.96000
• Density: 1.361±0.06 g/cm3(Predicted)
• LogP: 1.21190
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO, Methanol
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 396.15326573
• Heavy Atom Count: 28
• Complexity: 518

Purity/Quality:

97% ^*data from raw suppliers

N6-Carbobenzyloxy-N2,N2-bis(carboxymethyl)-L-lysine ^*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)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O
• Uses: N6-Carbobenzyloxy-N2,N2-bis(carboxymethyl)-L-lysine is used in the synthesis of nickel-chelating fluorinated lipids for protein monolayer crystallizations. It is used in the synthesis of nickel-chelating fluorinated lipids for protein monolayer crystallizations. It is used in the synthesis of nichel-chelating fluorinated lipids for protein monolayer crystallizations.

Technology Process of (2S)-2-[bis(carboxymethyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

There total 5 articles about (2S)-2-[bis(carboxymethyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid 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: 100.0%

N6-[(benzyloxy)carbonyl]-L-lysine (1155-64-2,57705-97-2,67178-46-5,25931-47-9) + bromoacetic acid (79-08-3) → Nα,Nα-bis(carboxymethyl)-Nε-(benzyloxycarbonyl)-L-lysine (113231-04-2)

Guidance literature:

With sodium hydroxide; at 0 - 50 ℃;

DOI:10.1039/c004134c

Reference yield: 78.0%

benzyl chloroformate (501-53-1,94274-21-2) + N,N-bis(carboxymethyl)-L-lysine (113231-05-3) → Nα,Nα-bis(carboxymethyl)-Nε-(benzyloxycarbonyl)-L-lysine (113231-04-2)

Guidance literature:

With sodium hydrogencarbonate; In diethyl ether; water; at 20 ℃; Cooling with ice;

Reference yield: 53.0%

Nα,Nα-bis[(tert-butyloxycarbonyl)methyl]-Nε-benzyloxycarbonyl-L-lysine tert-butyl ester (205379-07-3) → Nα,Nα-bis(carboxymethyl)-Nε-(benzyloxycarbonyl)-L-lysine (113231-04-2)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1002/anie.201802746

upstream raw materials:

bromoacetic acid

Nε-carbobenzoxy-L-lysine hydrochloride

N₆-[(benzyloxy)carbonyl]-L-lysine

benzyl chloroformate

Downstream raw materials:

N,N-bis(carboxymethyl)-L-lysine

6-benzyloxycarbonylamino-2-[bis-(2-trimethylsilanyl-ethoxycarbonylmethyl)-amino]-hexanoic acid 2-trimethylsilanyl-ethyl ester

Z-DCM-Lys(G-ah-GalNAc)₃

C₇₂H₁₂₃N₅O₃₈

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