N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine

Base Information

• Chemical Name: N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine
• CAS No.: 14745-84-7
• Molecular Formula: C7H12 N2
• Molecular Weight: 124.186
• Hs Code.: 2933990090
• NSC Number: 92513
• DSSTox Substance ID: DTXSID50293829
• Nikkaji Number: J1.805.069B
• Wikidata: Q82032805
• Mol file: 14745-84-7.mol

Synonyms:N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine;14745-84-7;2-[(Dimethylamino)methyl]pyrrole;dimethyl[(1H-pyrrol-2-yl)methyl]amine;2-dimethylaminomethylpyrrole;MFCD12028061;1H-Pyrrole-2-methanamine, N,N-dimethyl-;NSC92513;NCIOpen2_001422;SCHEMBL388132;2-(dimethylaminomethyl)pyrrole;DTXSID50293829;2-(N,N-dimethylaminomethyl)pyrrole;AC2500;NSC-92513;STK505509;AKOS005171792;dimethyl (1H-pyrrol-2-ylmethyl)amine;SB62467;AS-65372;SY017221;CS-0216679;FT-0679411;N,N-Dimethyl(1H-pyrrol-2-yl)methanamine #;EN300-54458;A884431;Z810541778

Chemical Property of N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine

Chemical Property:

• Vapor Pressure: 0.858mmHg at 25°C
• Melting Point: 64 °C
• Boiling Point: 181.3°C at 760 mmHg
• PKA: 16.96±0.50(Predicted)
• Flash Point: 63.5°C
• PSA: 19.03000
• Density: 0.998g/cm³
• LogP: 1.07630
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 124.100048391
• Heavy Atom Count: 9
• Complexity: 81

Purity/Quality:

98%min ^*data from raw suppliers

2-[(Dimethylamino)methyl]pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=CN1

Technology Process of N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine

There total 17 articles about N,N-dimethyl-1-(1H-pyrrol-2-yl)methanamine 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: 100.0%

→ 2-(N,N-dimethylaminomethyl)pyrrole (14745-84-7)

Guidance literature:

Reference yield: 96.0%

pyrrole (109-97-7,30604-81-0) + bis-(dimethylamino)methane (51-80-9) → 2-(N,N-dimethylaminomethyl)pyrrole (14745-84-7)

Guidance literature:

With palladium dichloride; at 60 ℃; for 6h; Reagent/catalyst;

DOI:10.1134/S1070428018050056

Reference yield: 88.0%

pyrrole (109-97-7,30604-81-0) + eschenmoser's salt (33797-51-2) → 2-(N,N-dimethylaminomethyl)pyrrole (14745-84-7)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1055/s-0034-1378925

upstream raw materials:

pyrrole

formaldehyd

N,N-dimethylammonium chloride

sodium methylate

Downstream raw materials:

2-(phenyldiazenyl)-1H-pyrrole

porphyrin

2-pyrroleacetonitrile

Chlorin

Refernces

• 1、 Akhmetova,Bikbulatova,Akhmadiev,Yanybin,Boiko,Kunakova,Ibragimov. "Directed Aminomethylation of Pyrrole, Indole, and Carbazole with N,N,N′,N′-Tetramethylmethanediamine". . p. 701 - 706. Retrieved 2018/07/06.
• 2、 Yang, Yi,Cui, Dongmei,Chen, Xuesi. "The behavior of pyrrolyl ligands within the rare-earth metal alkyl complexes. Insertion of CN and CO double bonds into Ln-σ-C bonds". experimental part. p. 3959 - 3967. Retrieved 2010/07/04.