1,3-Diaminopropane

Base Information

• Chemical Name: 1,3-Diaminopropane
• CAS No.: 109-76-2
• Deprecated CAS: 54018-94-9,1628783-17-4
• Molecular Formula: C3H10N2
• Molecular Weight: 74.1258
• Hs Code.: H2N(CH2)3NH2 MOL WT. 74.15
• European Community (EC) Number: 203-702-7,611-082-8,811-811-1
• NSC Number: 8154
• UN Number: 2734
• UNII: CB3ISL56KG
• DSSTox Substance ID: DTXSID1021906
• Nikkaji Number: J1.969K
• Wikipedia: 1,3-Diaminopropane
• Wikidata: Q161498
• Metabolomics Workbench ID: 37023
• ChEMBL ID: CHEMBL174324
• Mol file: 109-76-2.mol

Synonyms:1,3-diaminepropane;1,3-diaminopropane;1,3-propanediamine;trimethylenediamine;trimethylenediamine dihydrochloride;trimethylenediamine hydrochloride

Chemical Property of 1,3-Diaminopropane

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: <8 mm Hg ( 20 °C)
• Melting Point: -12 °C
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 135.5 °C at 760 mmHg
• PKA: 10.94(at 10℃)
• Flash Point: 48.9 °C
• PSA: 52.04000
• Density: 0.867 g/cm³
• LogP: 0.69450
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Water Solubility.: SOLUBLE
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 74.084398327
• Heavy Atom Count: 5
• Complexity: 12.4
• Transport DOT Label: Corrosive Flammable Liquid

Purity/Quality:

99%min ^*data from raw suppliers

1,3-Diaminopropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,C
• Hazard Codes: T,C
• Statements: 10-22-24-35
• Safety Statements: 26-36/37/39-45-25-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: C(CN)CN
• Uses: 1,3-Diaminopropane is commonly used in the preparation of cholinesterase inhibitors and thrombosis inhibitors. It is also used as a polymer cross linkage agent, polyurethane extender and spray coatings. It is involved in the preparation of agrochemicals and pharmaceutical intermediates. Further, it acts as a building block in the synthesis of heterocyclic compounds, which finds application in textile finishing. In addition to this, it is used as a ligand and form coordination complexes.

Technology Process of 1,3-Diaminopropane

There total 68 articles about 1,3-Diaminopropane 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%

propan-1-ol-3-amine (156-87-6) → Trimethylenediamine (109-76-2,54018-94-9)

Guidance literature:

Reference yield: 89.0%

C19H26N2O2 → Trimethylenediamine (109-76-2,54018-94-9)

Guidance literature:

With hydrogen; acetic acid; In methanol;

DOI:10.1002/chir.23265

Reference yield: 66.2%

2,2-dimethyl-1,1-bis(2-cyanoethyl)hydrazine (4870-73-9) → N1-(cyanoethyl)-1,3-propanediamine (35513-93-0) + 1,1-dimethyl-2-(3-aminopropyl)hydrazine (22157-84-2) + Trimethylenediamine (109-76-2,54018-94-9) + 2,2-dimethyl-1,1-bis(3-aminopropyl)hydrazine (84714-27-2)

Guidance literature:

With hydrogen; nickel; In ethanol; Further byproducts given;

upstream raw materials:

1,5-pentanedioic acid

2-cyanoethylamine

3-azidopropylamine

pentanediamide

Downstream raw materials:

N-(2-pyridinyl)-1,3-propandiamine

N¹,N³-di(pyridin-2-yl)propan-1,3-diamine

1,4,5,6-tetrahydropyrimidine

1,3-diphthalimidopropane

Refernces

• 1、 SCHAEG,SCHNEIDER. "Structure and stability of heavy metal complexes of basic amino acids with and without the imidazole ring.". . p. 40 - 49. Retrieved 1961.
• 2、 Fischer, Achim,Mallat, Tamas,Baiker, Alfons. "Continuous amination of propanediols in supercritical ammonia". . p. 351 - 354. Retrieved 1999.
• 3、 Murahashi et al.. "-". . p. 4235. Retrieved 1975.
• 4、 Federico, Rodolfo,Ercolini, Luca,Laurenzi, Maria,Angelini, Riccardo. "Oxidation of acetylpolyamines by maize polyamine oxidase". . p. 339 - 341. Retrieved 1996.
• 5、 Chang, Tsung-Che,Pradipta, Ambara R.,Tanaka, Katsunori. "Enantioselective synthesis of cyclic and linear diamines by imine cycloadditions". . p. 1160 - 1168. Retrieved 2020/07/08.
• 6、 -. "The invention relates to a propylene glycol and liquid ammonia as raw materials for preparing propylene diamine method and apparatus thereof". Paragraph 0080-0081; 0090. . Retrieved 2017/08/31.