N,N-Dimethylhistamine

Base Information

• Chemical Name: N,N-Dimethylhistamine
• CAS No.: 673-46-1
• Molecular Formula: C₇H₁₃N₃
• Molecular Weight: 139.2
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID30986565
• Nikkaji Number: J64.767E
• Wikidata: Q27078073
• Pharos Ligand ID: AHQ373WUSXH5
• Metabolomics Workbench ID: 46044
• ChEMBL ID: CHEMBL12704
• Mol file: 673-46-1.mol

Synonyms:N(alpha),N(alpha)-dimethylhistamine;N,N-dimethylhistamine;N,N-dimethylhistamine hydrochloride

Chemical Property of N,N-Dimethylhistamine

Chemical Property:

• Vapor Pressure: 0.00147mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 296 °C at 760 mmHg
• Flash Point: 132.8 °C
• PSA: 31.92000
• Density: 1.038 g/cm³
• LogP: 0.51380
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 139.110947427
• Heavy Atom Count: 10
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

[2-(1H-imidazol-4-yl)ethyl]dimethylamine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC1=CN=CN1

Technology Process of N,N-Dimethylhistamine

There total 6 articles about N,N-Dimethylhistamine 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: 31.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + histamine (51-45-6) → [2-(1H-Imidazol-4-yl)-ethyl]-dimethyl-amine (673-46-1)

Guidance literature:

With ammonium acetate; sodium cyanoborohydride; In water; at 40 ℃; pH=5.4;

DOI:10.1021/jacs.6b05538

Reference yield:

hydroxymethylvinyl ketone (52642-66-7) → [2-(1H-Imidazol-4-yl)-ethyl]-dimethyl-amine (673-46-1)

Guidance literature:

bei aufeinanderfolgender Umsetzung mit wss.Dimethylamin und mit Kupfer(II)-acetat, wss.Formaldehyd und wss.NH₃;

DOI:10.1021/ja01154a052

Reference yield:

4-(2-chloroethyl)-1H-imidazole (13518-55-3) + dimethyl amine (124-40-3) → [2-(1H-Imidazol-4-yl)-ethyl]-dimethyl-amine (673-46-1)

Guidance literature:

DOI:10.1039/jr9350000489 DOI:10.1021/ja01180a017

upstream raw materials:

hydroxymethylvinyl ketone

4-(2-chloroethyl)-1H-imidazole

dimethyl amine

formaldehyd

Refernces

• 1、 Gary, J. Brannon,Citek, Cooper,Brown, Timothy A.,Zare, Richard N.,Wasinger, Erik C.,Stack, T. Daniel P.. "Direct Copper(III) Formation from O2 and Copper(I) with Histamine Ligation". . p. 9986 - 9995. Retrieved 2016.
• 2、 INGLE,TAYLOR. "SYNTHESIS OF SOME HISTAMINE DERIVATIVES HAVING POTENTIAL HISTAMINE-LIKE". . p. 620 - 623. Retrieved 2007/10/05.