Hydrocinnamic Acid N-Hydroxysuccinimide Ester

Base Information

• Chemical Name: Hydrocinnamic Acid N-Hydroxysuccinimide Ester
• CAS No.: 109318-10-7
• Molecular Formula: C13H13 N O4
• Molecular Weight: 247.251
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID40553444
• Wikidata: Q82434029
• Mol file: 109318-10-7.mol

Synonyms:Hydrocinnamic Acid N-Hydroxysuccinimide Ester;109318-10-7;(2,5-dioxopyrrolidin-1-yl) 3-phenylpropanoate;1-[(3-Phenylpropanoyl)oxy]pyrrolidine-2,5-dione;2,5-DIOXOPYRROLIDIN-1-YL 3-PHENYLPROPANOATE;SCHEMBL436079;3-Phenyl-propionic acid 2,5-dioxo-pyrrolidin-1-yl ester;DTXSID40553444;AKOS015910974;A1-06601;J-002268;3-Phenylpropionic acid 2,5-dioxopyrrolidin-1-yl ester

Chemical Property of Hydrocinnamic Acid N-Hydroxysuccinimide Ester

Chemical Property:

• PSA: 63.68000
• LogP: 1.16430
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Solubility.: Chloroform
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 247.08445790
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

98%Min ^*data from raw suppliers

Hydrocinnamic acid N-hydroxysuccinimide ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)CCC2=CC=CC=C2
• Uses: Hydrocinnamic Acid N-Hydroxysuccinimide Ester (cas# 109318-10-7) is a compound useful in organic synthesis.

Technology Process of Hydrocinnamic Acid N-Hydroxysuccinimide Ester

There total 5 articles about Hydrocinnamic Acid N-Hydroxysuccinimide Ester 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: 99.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + 3-Phenylpropionic acid (501-52-0) → 2,5-dioxopyrrolidin-1-yl 3-phenylpropanoate (109318-10-7)

Guidance literature:

With dicyclohexyl-carbodiimide; at 0 - 20 ℃; for 8.5h;

DOI:10.2174/1573406415666181119164846

Reference yield: 99.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + hydrocinnamic acid chloride (645-45-4) → 2,5-dioxopyrrolidin-1-yl 3-phenylpropanoate (109318-10-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield:

3-phenyl-propionaldehyde (104-53-0) + 1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) → 2,5-dioxopyrrolidin-1-yl 3-phenylpropanoate (109318-10-7) + 3-Phenylpropionic acid (501-52-0)

Guidance literature:

With Oxone; [bis(acetoxy)iodo]benzene; for 4h;

DOI:10.1016/j.tetlet.2012.07.024

upstream raw materials:

1-hydroxy-pyrrolidine-2,5-dione

3-Phenylpropionic acid

hydrocinnamic acid chloride

3-phenyl-propionaldehyde

Downstream raw materials:

3-phenyl-1-pyrrolidin-1-yl-propane-1-one

(S)-N-(1-hydroxypropan-2-yl)-3-phenylpropanamide

N-(3-phenylpropanoyl)-(S)-1-phenylethylamine

N‐(2‐hydroxyethyl)‐3‐phenylpropanamide