Propamidine

Base Information

• Chemical Name: Propamidine
• CAS No.: 104-32-5
• Molecular Formula: C17H20N4O2
• Molecular Weight: 312.371
• Hs Code.: 2925290012
• European Community (EC) Number: 203-195-2
• UNII: G20G12V769
• DSSTox Substance ID: DTXSID6048674
• Nikkaji Number: J5.031H
• Wikipedia: Propamidine
• Wikidata: Q1240692
• NCI Thesaurus Code: C82250
• Metabolomics Workbench ID: 154118
• ChEMBL ID: CHEMBL23013
• Mol file: 104-32-5.mol

Synonyms:1,3-bis(p-amidinophenoxy)propane;1,3-di-(4-amidinophenoxy)propane;1,3-di-(p-amidinophenoxymethyl)-propane;4,4'-(trimethylenedioxy)dibenzamidine;DAPP-Br;DAPP-H;propamidine;propamidine dihydrochloride

Chemical Property of Propamidine

Chemical Property:

• Vapor Pressure: 4.99E-10mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 497.3 °C at 760 mmHg
• PKA: 12.75±0.50(Predicted)
• Flash Point: 254.6 °C
• PSA: 118.20000
• Density: 1.25 g/cm³
• LogP: 3.70270
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 312.15862589
• Heavy Atom Count: 23
• Complexity: 350

Purity/Quality:

98%,99%, ^*data from raw suppliers

PROPAMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Biocides/Disinfectants
• Canonical SMILES: C1=CC(=CC=C1C(=N)N)OCCCOC2=CC=C(C=C2)C(=N)N
• Uses: as isethionate.

Technology Process of Propamidine

There total 12 articles about Propamidine 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: 89.0%

1,3-bis(4-cyanophenoxy)propane (7476-06-4) → propamidine (104-32-5)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 20 ℃;

DOI:10.1039/c6md00573j

Reference yield:

4-cyanophenol (767-00-0) → propamidine (104-32-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 82 percent / ethanol. NaOEt / 48 h / Heating

2: HCl (gas) / benzene / 72 h / Ambient temperature

3: ethanol. NH₃ / 6 h / 50 °C

With hydrogenchloride; ammonia; sodium ethanolate; In benzene;

DOI:10.1021/jm00166a026

Reference yield:

C21H26N2O4*2ClH → propamidine (104-32-5)

Guidance literature:

With ammonia; at 50 ℃; for 6h;

DOI:10.1021/jm00166a026

upstream raw materials:

1,3-bis(4-cyanophenoxy)propane

ammonium thiocyanate

ammonium benzenesulfonate

4,4'-propanediyldioxy-bis-benzimidic acid diethyl ester

Refernces

• 1、 Zhang, Jing,Qian, Kun,Yan, Chunli,He, Maomao,Jassim, Brenson A.,Ivanov, Ivaylo,Zheng, Yujun George. "Discovery of decamidine as a new and potent PRMT1 inhibitor". supporting information. p. 440 - 444. Retrieved 2017/03/08.