1,3-Propanediamine, N,N'-dimethyl-N-[3-(methylamino)propyl]-

Base Information

• Chemical Name: 1,3-Propanediamine, N,N'-dimethyl-N-[3-(methylamino)propyl]-
• CAS No.: 123-70-6
• Molecular Formula: C9H23N3
• Molecular Weight: 173.302
• Hs Code.: 2921290000
• European Community (EC) Number: 204-645-0
• NSC Number: 166322
• UNII: RU2C4AX4WA
• DSSTox Substance ID: DTXSID8059558
• Nikkaji Number: J297.785K
• Wikidata: Q72446323
• Mol file: 123-70-6.mol

Synonyms:3,3'-bis(methylamino)-N-methyl-dipropylamine;3,3'-bis(methylamino)-N-methyldipropylamine;3,3'-methylimino-bis-(N-methylpropylamine);3,3'-methyliminobis(N-methylpropylamine)

Chemical Property of 1,3-Propanediamine, N,N'-dimethyl-N-[3-(methylamino)propyl]-

Chemical Property:

• Vapor Pressure: 0.0498mmHg at 25°C
• Refractive Index: n20/D 1.459
• Boiling Point: 235.5 °C at 760 mmHg
• PKA: 10.82±0.10(Predicted)
• Flash Point: 86.2 °C
• PSA: 27.30000
• Density: 0.857 g/cm³
• LogP: 0.91900
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 173.189197746
• Heavy Atom Count: 12
• Complexity: 75.8

Purity/Quality:

97% ^*data from raw suppliers

N,N-Bis[3-(methylamino)propyl]methylamine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNCCCN(C)CCCNC

Technology Process of 1,3-Propanediamine, N,N'-dimethyl-N-[3-(methylamino)propyl]-

There total 1 articles about 1,3-Propanediamine, N,N'-dimethyl-N-[3-(methylamino)propyl]- 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: 49.0%

N-methyl-3-methyl-3-[(methylamino)-3-oxopropyl]aminopropanamide (888011-54-9) → N,N'-dimethyl-N-(3-methylaminopropyl)propane-1,3-diamine (123-70-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 12h;

DOI:10.1039/b515967a

Reference yield: 72.0%

(S,E)-1-(4-bromobutoxy)-4-(3,7-dimethyl-3-vinylocta-1,6-dien-1-yl)benzene + N,N'-dimethyl-N-(3-methylaminopropyl)propane-1,3-diamine (123-70-6) → (S,E)-N1-(4-(4-(3,7-dimethyl-3-vinylocta-1,6-dien-1-yl)phenoxy)-butyl)-N1,N3-dimethyl-N3-(3-(methylamino)propyl)propane-1,3-diamine

Guidance literature:

In N,N-dimethyl-formamide; at 50 ℃; for 24h;

DOI:10.1021/acs.jmedchem.0c02059

Reference yield: 14.0%

4-acetaminophenol (103-90-2,8055-08-1) + 4-Nitrophenyl chloroformate (7693-46-1) + N,N'-dimethyl-N-(3-methylaminopropyl)propane-1,3-diamine (123-70-6) → C18H30N4O3

Guidance literature:

4-acetaminophenol; 4-Nitrophenyl chloroformate; With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; for 0.5h;

N₁,N₃-dimethyl-N₁-(3-(methylamino)propyl)propane-1,3-diamine; In tetrahydrofuran; at 20 ℃; for 0.5h;

upstream raw materials:

N-methyl-3-methyl-3-[(methylamino)-3-oxopropyl]aminopropanamide

Downstream raw materials:

C₃₇H₇₃N₇O₇

1-{4-[(3-{[3-(DOTA(tBu)₃-methyl-amino)-propyl]-methyl-amino}-propyl)-methyl-carbamoyl]-2-isopropyl-phenyl}-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester

1-{4-[(3-{[3-(DOTA(tBu)₃-methyl-amino)-propyl]-methyl-amino}-propyl)-methyl-carbamoyl]-2-isopropyl-phenyl}-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carboxylic acid

2-{[1-{4-[(3-{[3-(DOTA(tBu)₃-methylamino)propyl]methylamino}propyl)methylcarbamoyl]-2-isopropylphenyl}-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carbonyl]amino}adamantane-2-carboxylic acid

Refernces