CID 12263596

Base Information

• Chemical Name: CID 12263596
• CAS No.: 636-70-4
• Molecular Formula: C6H15N^.HBr
• Molecular Weight: 182.104
• Hs Code.: 29211999
• Mol file: 636-70-4.mol

Synonyms:SCHEMBL5076299

Chemical Property of CID 12263596

Chemical Property:

• Appearance/Colour: white to off-white flakes
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 246-248 °C
• Boiling Point: 90.5 °C at 760 mmHg
• Flash Point: >65oC
• PSA: 3.24000
• Density: 1.314[at 20℃]
• LogP: 2.30620
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water, alcohol and chloroform.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 181.04661
• Heavy Atom Count: 8
• Complexity: 30

Purity/Quality:

98%, ^*data from raw suppliers

Triethylamine hydrobromide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26-22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[NH+](CC)CC.[Br-]
• Uses: Triethylamine hydrobromide is used to prepare dimethyl -alfa-diethylaminomaleate by reacting with dimethyl acetylenedicarbosylate. It is involved in the preparation of triphenylpropargylphosphonium bromide.

Technology Process of CID 12263596

There total 82 articles about CID 12263596 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: 98.0%

5-(2-bromo-ethyl)-phenanthridinium bromide + ethylenediamine (107-15-3,85404-18-8) + triethylamine (121-44-8) → C32H28N4(2+)*2Br(1-) + triethylamine hydrobromide (636-70-4)

Guidance literature:

In DMF (N,N-dimethyl-formamide); at 20 ℃; for 48h;

Reference yield: 95.0%

(-)-trans-(2R)-bromo-(5R)-methylcyclohexanone p-toluenesulfonylhydrazone (78939-23-8) → triethylamine hydrobromide (636-70-4) + (-)-(5R)-methylcyclohex-2-enone p-toluenesulfonylhydrazone (78939-25-0)

Guidance literature:

With triethylamine; In benzene; at 0 ℃;

DOI:10.1021/ja00408a007

Reference yield: 95.0%

5-(2-bromo-ethyl)-phenanthridinium bromide + 4-methoxy-benzylamine (2393-23-9) + triethylamine (121-44-8) → 1-(4-methoxybenzyl)-2,3-dihydro-1H-imidazo[1,2-f]phenanthridin-4-ylium bromide + triethylamine hydrobromide (636-70-4)

Guidance literature:

In DMF (N,N-dimethyl-formamide); at 20 ℃; for 48h;

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

triethylamine

benzene

Downstream raw materials:

16-bromohexadecanoic acid

triethylamine-borane

Refernces

• 1、 Crujeiras, Pablo,Rodríguez-Rey, José Luis,Sousa-Pedrares, Antonio. "Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane". . p. 2572 - 2593. Retrieved 2017/03/08.
• 2、 Thompson, Kate L.,Bannister, Iveta,Armes, Steven P.,Lewis, Andrew L.. "Preparation of biocompatible sterically stabilized latexes using well-defined poly(2-(methacryloyloxy)ethyl phosphorylcholine) macromonomers". experimental part. p. 4693 - 4702. Retrieved 2010/11/18.