4-Benzoylbenzoic acid succinimidyl ester

Base Information

• Chemical Name: 4-Benzoylbenzoic acid succinimidyl ester
• CAS No.: 91990-88-4
• Molecular Formula: C18H13 N O5
• Molecular Weight: 323.305
• Hs Code.: 29280000
• European Community (EC) Number: 804-668-1
• DSSTox Substance ID: DTXSID70376325
• Nikkaji Number: J2.117.070D
• Wikidata: Q82165250
• Mol file: 91990-88-4.mol

Synonyms:91990-88-4;4-Benzoylbenzoic acid succinimidyl ester;4-(N-Succinimidylcarboxy)benzophenone;(2,5-dioxopyrrolidin-1-yl) 4-benzoylbenzoate;2,5-dioxopyrrolidin-1-yl 4-benzoylbenzoate;N-Succinimidyl 4-Benzoylbenzoate;4-Benzoylbenzoic Acid N-Succinimidyl Ester;1-[(4-Benzoylbenzoyl)oxy]pyrrolidine-2,5-dione;SCHEMBL76714;LCZC2378;DTXSID70376325;MVQNJLJLEGZFGP-UHFFFAOYSA-N;MFCD00058572;4-benzoylbenzoicacid-succinimidyl ester;AKOS025312397;4-Benzoylbenzoic acid,succinimidyl ester;4-Benzoylbenzoic acid, succinimidyl ester;AS-10345;2,5-dioxopyrrolidin-1-yl4-benzoylbenzoate;4-BENZOYLBENZOICACIDSUCCINIMIDYLESTER;CS-0181326;FT-0617636;S0863;T73071;4-Benzoylbenzoic acid N-succinimidyl ester, 97%;1-[(4-benzoylbenzoyl)oxy] pyrrolidine-2,5-dione;A917038

Chemical Property of 4-Benzoylbenzoic acid succinimidyl ester

Chemical Property:

• Vapor Pressure: 3.45E-10mmHg at 25°C
• Melting Point: 205-206掳C
• Refractive Index: 1.645
• Boiling Point: 501.5°Cat760mmHg
• Flash Point: 257.1°C
• PSA: 80.75000
• Density: 1.4g/cm³
• LogP: 2.07630
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 323.07937252
• Heavy Atom Count: 24
• Complexity: 514

Purity/Quality:

97% ^*data from raw suppliers

4-(N-Succinimidylcarboxy)benzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
• Uses: A photoactivatable analog of glutathione disulfide. Heterobifunctional photoreactive crosslinker. Succinimidyl ester will react with amines and the benzophenone will react non-specifically upon photoirradiation at approximately 360 nm. An amine reactive heterobifunctional reagent.

Technology Process of 4-Benzoylbenzoic acid succinimidyl ester

There total 1 articles about 4-Benzoylbenzoic acid succinimidyl 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: 94.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + 4-carboxybenzophenone (611-95-0) → p-benzoylbenzoic acid N-hydroxysuccinimide ester (91990-88-4)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; Inert atmosphere;

DOI:10.1016/j.bmcl.2009.12.019

Reference yield: 100.0%

C12H23NO15P3(5-)*5Na(1+) + p-benzoylbenzoic acid N-hydroxysuccinimide ester (91990-88-4) → C32H41N5O18P3(5-)*5Na(1+)

Guidance literature:

With triethylamine carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1002/ejoc.200900476

Reference yield: 90.0%

p-benzoylbenzoic acid N-hydroxysuccinimide ester (91990-88-4) + biocytin (576-19-2) → Nα-(4-benzoylbenzoyl)-L-biocytin (165898-24-8)

Guidance literature:

With sodium hydroxide; In water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2009.12.019

upstream raw materials:

1-hydroxy-pyrrolidine-2,5-dione

4-carboxybenzophenone

Downstream raw materials:

N^α-(4-benzoylbenzoyl)-L-biocytin

N-(4-benzoylbenzoyl)-S-tritylglutathione

1-(N-(N^α-(4-benzoylbenzoyl)-L-biocytinoyl)amino)-6-(N'-boc-amino)hexane