Thenyldiamine

Base Information

• Chemical Name: Thenyldiamine
• CAS No.: 91-79-2
• Molecular Formula: C14H19 N3 S
• Molecular Weight: 261.391
• European Community (EC) Number: 202-098-2
• UNII: E4U52363JE
• DSSTox Substance ID: DTXSID0021335
• Nikkaji Number: J4.347H
• Wikipedia: Thenyldiamine
• Wikidata: Q7781412
• NCI Thesaurus Code: C84200
• ChEMBL ID: CHEMBL2107485
• Mol file: 91-79-2.mol

Synonyms:2-((2-dimethylaminoethyl)-3-thenylamino)pyridine;thenyldiamine

Chemical Property of Thenyldiamine

Chemical Property:

• Refractive Index: nD20 1.5915
• Boiling Point: bp1.0 169-172°
• PKA: pKa 3.94(H2O t=25 c=0.002 to 0.01) (Uncertain);8.93 (Uncertain)
• PSA: 47.61000
• Density: 1.1388 (rough estimate)
• LogP: 2.71130
• Water Solubility.: 4.444g/L(37.5 oC)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 261.12996879
• Heavy Atom Count: 18
• Complexity: 235

Purity/Quality:

95-99% ^*data from raw suppliers

THENYLDIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2
• Uses: Medicine (as base for various salts, especially the hydrochloride).
• Therapeutic Function: Antihistaminic

Technology Process of Thenyldiamine

There total 6 articles about Thenyldiamine 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:

5-bromo-thiophene-3-carboxylic acid-[(2-dimethylamino-ethyl)-[2]pyridyl-amide] → N,N-dimethyl-N'-[2]pyridyl-N'-[3]thienylmethyl-ethylenediamine (91-79-2)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01638a041

Reference yield:

2-bromothiophene-4-carboxylic acid (100523-84-0) → N,N-dimethyl-N'-[2]pyridyl-N'-[3]thienylmethyl-ethylenediamine (91-79-2)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂; pyridine

2: LiAlH₄; diethyl ether

With pyridine; lithium aluminium tetrahydride; thionyl chloride; diethyl ether;

DOI:10.1021/ja01638a041

Reference yield:

N,N-dimethyl-N'-(pyridine-2-yl)ethane-1,2-diamine (23826-72-4) → N,N-dimethyl-N'-[2]pyridyl-N'-[3]thienylmethyl-ethylenediamine (91-79-2)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂; pyridine

2: LiAlH₄; diethyl ether

With pyridine; lithium aluminium tetrahydride; thionyl chloride; diethyl ether;

DOI:10.1021/ja01638a041

upstream raw materials:

3-Bromomethylthiophene

N,N-dimethyl-N'-(pyridine-2-yl)ethane-1,2-diamine

diethyl ether

2-bromothiophene-4-carboxylic acid