N-(2-Dimethylaminoethyl)-N-methylformamide

Base Information

• Chemical Name: N-(2-Dimethylaminoethyl)-N-methylformamide
• CAS No.: 105669-53-2
• Molecular Formula: C6H14N2O
• Molecular Weight: 130.19
• Hs Code.: 2924199090
• European Community (EC) Number: 626-391-3
• NSC Number: 130067
• DSSTox Substance ID: DTXSID50299402
• Nikkaji Number: J613.842J
• Wikidata: Q82041794
• Mol file: 105669-53-2.mol

Synonyms:105669-53-2;N-(2-Dimethylaminoethyl)-N-methylformamide;N-[2-(Dimethylamino)ethyl]-N-methylformamide;N-(2-(Dimethylamino)ethyl)-N-methylformamide;N-Formyl-N,N',N'-trimethylethylenediamine;NSC130067;N-(2-DIMETHYLAMINOETHYL)-N-METHYLFORMAM;SCHEMBL616499;DTXSID50299402;CSLBJRKWKVBRSQ-UHFFFAOYSA-N;MFCD04039895;AKOS013153476;NSC-130067;N,N'-trimethyl-N-formyl-ethylenediamine;AS-37589;n,n,n'-trimethyl-n'-formylethylenediamine;N-formyl-N, N',N'-trimethylethylenediamine;CS-0172412;D3724;FT-0697248;N-formyl-N, N', N'-trimethylethylenediamine;Formamide,N-[2-(dimethylamino)ethyl]-N-methyl-;A801297;N-(2-Dimethylaminoethyl)-N-methylformamide, 97%;J-001470

Chemical Property of N-(2-Dimethylaminoethyl)-N-methylformamide

Chemical Property:

• Vapor Pressure: 0.104mmHg at 25°C
• Refractive Index: n20/D 1.4570(lit.)
• Boiling Point: 221.9 °C at 760 mmHg
• Flash Point: 88 °C
• PSA: 23.55000
• Density: 0.933 g/cm³
• LogP: 0.27210
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 130.110613074
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

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

N-(2-Dimethylaminoethyl)-N-methylformamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCN(C)C=O
• Uses: N-(2-Dimethylaminoethyl)-N-methylformamide is a pyridoneamide derivative that is used as a focal adhesion kinase inhibitors and their use for the treatment of cancer.

Technology Process of N-(2-Dimethylaminoethyl)-N-methylformamide

There total 3 articles about N-(2-Dimethylaminoethyl)-N-methylformamide 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: 90.0%

carbon dioxide (124-38-9,18923-20-1) + N,N',N'-trimethylenediamine (142-25-6) → N-formyl-N,N',N'-trimethylethylenediamine (105669-53-2)

Guidance literature:

With sodium (phenyltrihydroxyborate); phenylsilane; In diethylene glycol dimethyl ether; at 60 ℃; for 12h; under 1875.19 Torr; Sealed tube; Glovebox; Autoclave;

DOI:10.1039/d0gc01741h

Reference yield: 65.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N`-dimethylethylenediamine (110-70-3) → 1,3-dimethylimidazolidine (14103-77-6) + N-formyl-N,N',N'-trimethylethylenediamine (105669-53-2)

Guidance literature:

In water; for 18h; Ambient temperature;

Reference yield:

formic acid (64-18-6) + N,N',N'-trimethylenediamine (142-25-6) → N-formyl-N,N',N'-trimethylethylenediamine (105669-53-2)

Guidance literature:

In toluene;

DOI:10.1016/S0040-4039(00)84376-2

upstream raw materials:

formic acid

N,N',N'-trimethylenediamine

formaldehyd

N,N`-dimethylethylenediamine

Downstream raw materials:

benzaldehyde

4-iodo-2-methoxynicotinaldehyde

4-iodo-2-methoxy-6-trimethylsilanyl-3-pyridinecarboxaldehyde

Refernces

• 1、 Du, Chen-Xia,Huang, Zijun,Jiang, Xiaolin,Li, Yuehui,Makha, Mohamed,Wang, Fang,Zhao, Dongmei. "Tetracoordinate borates as catalysts for reductive formylation of amines with carbon dioxide". supporting information. p. 5317 - 5324. Retrieved 2020/09/17.
• 2、 Einhorn, J.,Luche, J. L.. "ULTRASOUND IN ORGANIC SYNTHESIS 9 FURTHER RESULTS FOR THE BOUVEAULT REACTION". . p. 1791 - 1792. Retrieved 2007/10/02.