N-Methyl-1,3-propanediamine

Base Information

• Chemical Name: N-Methyl-1,3-propanediamine
• CAS No.: 6291-84-5
• Molecular Formula: C4H12N2
• Molecular Weight: 88.1527
• Hs Code.: 29212900
• European Community (EC) Number: 228-544-6
• NSC Number: 8160
• UN Number: 1993
• UNII: 4YP367238K
• DSSTox Substance ID: DTXSID5064201
• Nikkaji Number: J25.750H
• Wikidata: Q27260683
• ChEMBL ID: CHEMBL174165
• Mol file: 6291-84-5.mol

Synonyms:N-Methyl-1,3-propanediamine;6291-84-5;N-methylpropane-1,3-diamine;N-Methyl-1,3-diaminopropane;3-(Methylamino)propylamine;1,3-Propanediamine, N-methyl-;(3-Aminopropyl)methylamine;3-Aminopropylmethylamine;N'-methylpropane-1,3-diamine;N-Methyl-1,3-propylenediamine;N-Methyltrimethylenediamine;3-Methylaminopropylamine;1-Amino-3-(methylamino)propane;3-Amino-1-(methylamino)propane;N1-methylpropane-1,3-diamine;N1-methyl-1,3-Propanediamine;1,3-Propanediamine, N1-methyl-;NSC 8160;N-Methyl-propane-1,3-diamine;EINECS 228-544-6;AI3-25443;UNII-4YP367238K;NSC-8160;4YP367238K;NSC8160;methylaminopropylamine;MFCD00008209;1, N-methyl-;(3-aminopropyl)(methyl)amine;N'-methyl-1,3-propanediamine;N-methyl-1,3-propane diamine;CHEMBL174165;DTXSID5064201;N1-methyl-propane-1,3-diamine;QHJABUZHRJTCAR-UHFFFAOYSA-;BBL011479;N-(3-AMINOPROPYL)METHYLAMINE;N-Methyl-1,3-diaminopropane, 98%;STL146591;AKOS000121348;3-(METHYLAMINO)-1-PROPYLAMINE;CS-W011350;N-(3-AMINOPROPYL)-N-METHYLAMINE;1-(N-METHYLAMINO)-3-AMINOPROPANE;BP-30183;LS-119902;A8685;AM20100546;FT-0636071;M0599;EN300-21155;Q-100724;Q27260683;3-(Methylamino)propylamine, technical, >=97.0% (GC);F2187-1264;N-methyl-1,3-propanediamine 1000 microg/mL in Acetonitrile;N3D

Chemical Property of N-Methyl-1,3-propanediamine

Chemical Property:

• Appearance/Colour: Colourless Liquid with Ammonia odour
• Vapor Pressure: 6.26mmHg at 25°C
• Melting Point: -72 °C
• Refractive Index: n20/D 1.447(lit.)
• Boiling Point: 140 °C at 760 mmHg
• PKA: 10.60±0.10(Predicted)
• Flash Point: 35.6 °C
• PSA: 38.05000
• Density: 0.823 g/cm³
• LogP: 0.64580
• Storage Temp.: Flammables area
• Solubility.: Completely miscible in water
• Water Solubility.: 1000g/L at 25℃
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 88.100048391
• Heavy Atom Count: 6
• Complexity: 21.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

N-Methyl-1,3-propanediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C,Xi
• Hazard Codes: F,C,Xi
• Statements: 10-20/21/22-34
• Safety Statements: 16-26-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCCN
• Recent EU Clinical Trials: A Clinical Study to Evaluate the Safety and Effectiveness of NOVOCART? 3D plus Compared to Microfracture in the Treatment of Articular Cartilage Defects of the Knee.
• Uses: N-Methyl-1,3-diaminopropane (MeDAP) has been used as a structure directing molecule in the synthesis of two crystalline aluminophosphates. It has also been used in the synthesis of an intermediate of alfuzosin and lapyrium chloride with lipases as catalysts.

Technology Process of N-Methyl-1,3-propanediamine

There total 9 articles about N-Methyl-1,3-propanediamine 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: 79.1%

N-(2-cyanoethyl)-N-methylamine (693-05-0) → N-Methyl-1,3-propanediamine (6291-84-5)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Solvent; Reflux;

Reference yield:

methanol (67-56-1) + Trimethylenediamine (109-76-2,54018-94-9) → 1-amino-3-(dimethylamino)propane (109-55-7) + 1,3-bis(methylamino)propane (111-33-1) + N-Methyl-1,3-propanediamine (6291-84-5)

Guidance literature:

With Cs-P-Si; at 300 ℃; under 61504.9 Torr;

DOI:10.1021/ja048557s

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Trimethylenediamine (109-76-2,54018-94-9) → N-Methyl-1,3-propanediamine (6291-84-5)

Guidance literature:

formaldehyd; Trimethylenediamine; In ethanol; at 80 ℃; for 12h; Schlenk technique; Inert atmosphere;

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.1c00503

upstream raw materials:

N-(2-cyanoethyl)-N-methylamine

1-methyl-1-(β-cyanoethyl)hydrazine

2-ethylsulfanyl-3-methyl-3H-pyrimidin-4-one

ethanol

Downstream raw materials:

N-Di-o-tolylmethylene-N'-methyl-propane-1,3-diamine

N-(3-methylaminopropyl)carbamic acid tert-butyl ester

1-methyl-8-phenyl-1,2,3,4-tetrahydro-pyrido[1,2-a]pyrimidin-6-one

8-(4-chloro-phenyl)-1-methyl-1,2,3,4-tetrahydro-pyrido[1,2-a]pyrimidin-6-one

Refernces

• 1、 -. "A process for the preparation of alfuzosin hydrochloride method (by machine translation)". Paragraph 0023; 0024; 0026; 0030; 0031; 0032. . Retrieved 2017/08/29.
• 2、 -. "Specific binding assay compound with inhibitive self-quenching characteristics". . . Retrieved 2008/06/13.