57609-63-9

Basic information

• Product Name: 1,3-Propanediol di-p-nitrobenzoate
• Synonyms: 1,3-Propanediol di-p-nitrobenzoate;Bis(4-nitrobenzoic acid)1,3-propanediyl ester
• CAS NO: 57609-63-9
• Molecular Formula: C₁₇H₁₄N₂O₈
• Molecular Weight: 374.3
• Mol File: 57609-63-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 563.4°Cat760mmHg
• Flash Point: 238.8°C
• Appearance: /
• Density: 1.405g/cm³
• Vapor Pressure: 1.02E-12mmHg at 25°C
• Refractive Index: 1.605
• CAS DataBase Reference: 1,3-Propanediol di-p-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Propanediol di-p-nitrobenzoate(57609-63-9)
• EPA Substance Registry System: 1,3-Propanediol di-p-nitrobenzoate(57609-63-9)

Safety Data

• Hazardous Substances Data: 57609-63-9(Hazardous Substances Data)

Usage

Chemical structure

1,3-Propanediol di-p-nitrobenzoate is a chemical compound consisting of two molecules of p-nitrobenzoic acid esterified to one molecule of 1,3-propanediol.

Use as a crosslinking agent

It is commonly used in polymer chemistry to enhance the thermal, mechanical, and chemical properties of polymers.

Use in synthesis

It is used as a building block in the synthesis of pharmaceuticals and other organic compounds.

Toxicity

It is toxic if ingested, inhaled, or absorbed through the skin.

Irritation

It may cause irritation to the eyes, skin, and respiratory system.

Handling precautions

It should be handled with care due to its toxicity and potential for causing irritation.

InChI:InChI=1/C17H14N2O8/c20-16(12-2-6-14(7-3-12)18(22)23)26-10-1-11-27-17(21)13-4-8-15(9-5-13)19(24)25/h2-9H,1,10-11H2

Upstream product

• 122-04-3 4-nitro-benzoyl chloride 
• 504-63-2 trimethyleneglycol 

Downstream Products

• 57609-64-0 propane-1,3-diyl bis(4-aminobenzoate) 

Relevant articles and documents

Organocatalytic Double Ugi Reaction with Statistical Amplification of Product Enantiopurity: A Linker Cleavage Approach to Access Highly Enantiopure Ugi Products

Here we report an organocatalytic double Ugi reaction combining the enantioselective process and ee enhancement in a single operation to afford the chiral Ugi products with very high ee values. Both bisisocyanides and bisanilines tethered by carbonate and diester, respectively, were designed to accomplish this double multicomponent reaction that formed 10 new chemical bonds (4 C-N, 2 C-C, 2 C-O, and 2 N-H bonds). The strategy was further applied for the fast construction of an enantiomerically enriched macrocycle.