TRIMETHYLENE BIS(4-AMINOBENZOATE)

Base Information

• Chemical Name: TRIMETHYLENE BIS(4-AMINOBENZOATE)
• CAS No.: 57609-64-0
• Deprecated CAS: 174405-43-7
• Molecular Formula: C17H18N2O4
• Molecular Weight: 314.341
• Hs Code.: 2922499990
• European Community (EC) Number: 260-847-9
• UNII: 8860R9ORQR
• DSSTox Substance ID: DTXSID3044960
• Nikkaji Number: J41.182E
• Wikidata: Q27269893
• RXCUI: 1923479
• ChEMBL ID: CHEMBL3183528
• Mol file: 57609-64-0.mol

Synonyms:1,3-Propanediol,bis(4-aminobenzoate) (9CI);1,3-Propanediol bis(p-aminobenzoate);1,3-Propanediol di-p-aminobenzoate;1,3-Propanediyl bis(p-aminobenzoate);1,3-Propylene bis(4-aminobenzoate);CUA 4;Cuamine CUA 4;Polacure 740;Polacure 740M;Trimethylene di-p-aminobenzoate;Trimethylene glycolbis(4-aminobenzoate);Trimethylene glycol bis(p-aminobenzoate);Trimethyleneglycol di-4-aminobenzoate;Trimethylene glycol di-p-aminobenzoate;Versalink740;Versalink 740M;Vibracure A 157;

Chemical Property of TRIMETHYLENE BIS(4-AMINOBENZOATE)

Chemical Property:

• Appearance/Colour: powder (granular)
• Vapor Pressure: 5.11E-12mmHg at 25°C
• Melting Point: 124-127 °C(lit.)
• Refractive Index: 1.622
• Boiling Point: 547 °C at 760 mmHg
• PKA: 2.61±0.10(Predicted)
• Flash Point: 257.4 °C
• PSA: 104.64000
• Density: 1.14 g/cm³
• LogP: 3.41730
• Solubility.: almost transparency in Acetone
• Water Solubility.: 4mg/L at 25℃
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 314.12665706
• Heavy Atom Count: 23
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

Trimethylene Bis(4-aminobenzoate) >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Curing Agents (Aromatic)
• Canonical SMILES: C1=CC(=CC=C1C(=O)OCCCOC(=O)C2=CC=C(C=C2)N)N
• Uses: A safe, high performance reactant with polyurethane and epoxide prepolymers.

Technology Process of TRIMETHYLENE BIS(4-AMINOBENZOATE)

There total 7 articles about TRIMETHYLENE BIS(4-AMINOBENZOATE) 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: 95.0%

sodium p-aminobenzoate (555-06-6) + 1,3-Dichloropropane (142-28-9) → propane-1,3-diyl bis(4-aminobenzoate) (57609-64-0)

Guidance literature:

In N-methyl-acetamide; water;

Reference yield: 90.8%

potassium 4-aminobenzoate (138-84-1) + 1.3-chlorobromopropane (109-70-6) + 1,2-dichloro-benzene (95-50-1) → propane-1,3-diyl bis(4-aminobenzoate) (57609-64-0)

Guidance literature:

With sodium carbonate; In N-methyl-acetamide; water;

Reference yield: 82.2%

dibutyltin diacetate + p-aminoethylbenzoate (94-09-7) + trimethyleneglycol (504-63-2) → propane-1,3-diyl bis(4-aminobenzoate) (57609-64-0)

Guidance literature:

In isopropyl alcohol;

upstream raw materials:

p-aminoethylbenzoate

trimethyleneglycol

potassium 4-aminobenzoate

1.3-chlorobromopropane

Refernces

• 1、 -. "Preparation method of 1, 3-propanediol bis(4-aminobenzoate)ester". Paragraph 0018-0021. . Retrieved 2020/01/12.
• 2、 -. "Process for the preparation of alkanediol-diaminobenzoates". . . Retrieved 2008/06/13.