2,5-Dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate

Base Information

• Chemical Name: 2,5-Dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate
• CAS No.: 134759-23-2
• Molecular Formula: C12H17 I N2 O5
• Molecular Weight: 396.18
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID00402606
• Wikidata: Q72509052
• Mol file: 134759-23-2.mol

Synonyms:134759-23-2;2,5-Dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate;Succinimidyl-6-(iodoacetamido)caproate;Succinimidyl-6-(iodoacetyl)aminocaproate;(2,5-dioxopyrrolidin-1-yl) 6-[(2-iodoacetyl)amino]hexanoate;6-(IODOACETAMIDO)CAPROIC ACID N-*HYDROXYSUCCINIMIDE;C12H17IN2O5;SCHEMBL181009;2,5-Dioxopyrrolidin-1-yl6-(2-iodoacetamido)hexanoate;DTXSID00402606;GRNALJOZUYFKSS-UHFFFAOYSA-N;AMY22703;MFCD00132999;AKOS015909915;FT-0604054;J-006600;N-{6-[(2,5-Dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-iodoacetamide;Hexanoic acid,6-[(2-iodoacetyl)amino]-,2,5-dioxo-1-pyrrolidinyl ester

Chemical Property of 2,5-Dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate

Chemical Property:

• PKA: 14.23±0.46(Predicted)
• PSA: 92.78000
• Density: 1.67±0.1 g/cm3(Predicted)
• LogP: 1.03400
• Storage Temp.: ?20°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 396.01822
• Heavy Atom Count: 20
• Complexity: 383

Purity/Quality:

99% ^*data from raw suppliers

Succinimidyl-6-(iodoacetamido)caproate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CI

Technology Process of 2,5-Dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate

There total 1 articles about 2,5-Dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate 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: 67.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + 6-(2-iodo-acetylamino)-hexanoic acid (2018-22-6) → 2,5-dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate (134759-23-2)

Guidance literature:

With dicyclohexyl-carbodiimide; In tetrahydrofuran; for 16h;

Reference yield:

2,5-dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate (134759-23-2) + 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-{1-[(3,5-dimethyl-7-{2-[(2-sulfoethyl)amino]ethoxy}tricyclo[3.3.1.13'7]dec-1-yl)methyl]-5-methyl-1H-pyrazol-4-yl}pyridine-2-carboxylic acid → N-{6-[(iodoacetyl)amino]hexanoyl}-L-valyl-N-{4-[({[2-({3-[(4-{6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-2-carboxypyridin-3-yl}-5-methyl-1H-pyrazol-1-yl)methyl]-5,7-dimethyltricyclo[3.3.1.13,7]dec-1-yl}oxy)ethyl](2-sulfoethyl)carbamoyl}oxy)methyl]phenyl}-N5-carbamoyl-L-ornithinamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 ℃; for 1.5h;

Reference yield:

2,5-dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate (134759-23-2) + 3-(1-((3-(2-((((4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)carbonyl)(2-sulfoethyl)amino)ethoxy)-5,7-dimethyladamantan-1-yl)methyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid → N-{6-[(iodoacetyl)amino]hexanoyl}-L-valyl-N-{4-[({[2-({3-[(4-{6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-2-carboxypyridin-3-yl}-5-methyl-1H-pyrazol-1-yl)methyl]-5,7-dimethyltricyclo[3.3.1.13,7]dec-1-yl}oxy)ethyl](2-sulfoethyl)carbamoyl}oxy)methyl]phenyl}-N5-carbamoyl-L-ornithinamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 ℃; for 1.5h;

upstream raw materials:

1-hydroxy-pyrrolidine-2,5-dione

6-(2-iodo-acetylamino)-hexanoic acid

Downstream raw materials:

N-acetyl-cys((succinimidyl-6-(thioacetyl)amino)hexanoate)-ser-arg-arg-ala-ser-val-tyr-amide

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