2-(Diisopropylamino)ethyl chloride hydrochloride

Base Information

• Chemical Name: 2-(Diisopropylamino)ethyl chloride hydrochloride
• CAS No.: 4261-68-1
• Molecular Formula: C8H18ClN^.HCl
• Molecular Weight: 200.152
• Hs Code.: 29211980
• European Community (EC) Number: 224-238-1
• NSC Number: 49189
• UNII: 6RMR38FCEQ
• DSSTox Substance ID: DTXSID6048701
• Wikidata: Q27265386
• ChEMBL ID: CHEMBL3188338
• Mol file: 4261-68-1.mol

Synonyms:4261-68-1;2-Diisopropylaminoethyl Chloride Hydrochloride;2-(Diisopropylamino)ethyl chloride hydrochloride;2-Chloroethyldiisopropylamine hydrochloride;2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride;EINECS 224-238-1;UNII-6RMR38FCEQ;NSC 49189;6RMR38FCEQ;2-Chloroethyldiisopropylammonium chloride;AI3-26685;DTXSID6048701;N-(Chloroethyl)diisopropylamine hydrochloride;N-(2-Chloroethyl)diisopropylamine hydrochloride;(beta-Chloroethyl)diisopropylamine hydrochloride;Diisopropylamine, N-(2-chloroethyl)-, hydrochloride;NSC-49189;Triethylamine, 2''-chloro-1,1'-dimethyl-, hydrochloride;N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride;N-(2-chloroethyl)-N-(propan-2-yl)propan-2-amine hydrochloride;N-(2-Chloroethyl)-N-(1-methylethyl)-2-propanamine hydrochloride;AI 3-26685;(2-chloroethyl)bis(propan-2-yl)amine hydrochloride;2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1);NCGC00166002-01;C8H18ClN.ClH;(2-chloroethyl)diisopropylamine hydrochloride;SCHEMBL227522;CHEMBL3188338;DTXCID9028627;NSC49189;Tox21_113097;MFCD00012496;AKOS015950691;2-(diisopropylamino)ethyl chloride HCl;diisopropylaminoethylchloridehydrochloride;diisopropylaminoethylchloride hydrochloride;Triethylamine,1'-dimethyl-, hydrochloride;2-Diisopropylaminoethylchloridehydrochloride;CAS-4261-68-1;diisoproplyaminoethyl chloride-hydrochloride;diisopropylaminoethyl chloride hydrochloride;2-diisopropylaminoethylchloride hydrochloride;LS-119418;2-Chloroethyl(diisopropyl)amine Hydrochloride;2-diisopropylamino chloroethane hydrochloride;AM20100125;D1466;FT-0612173;(2-chloroethyl)-diisopropylamine hydrochloride;(2-chloroethyl)-diisopropyl-amine hydrochloride;1-chloro-2-diisopropylaminoethane hydrochloride;2-(diisopropylamino)ethylchloride hydrochloride;2-chloroethyl-bis(isopropyl)amine hydrochloride;2-diisopropylamino-ethyl chloride hydrochloride;2-(diisoproplyamino)ethyl chloride hydrochloride;2-(diisopropylamino) ethyl chloride hydrochloride;2-(diisopropylamino)-ethylchloride hydrochloride;2-Chloro-N,N-diisopropylethylamine hydrochloride;2-(N,N-Diisopropylamino)ethyl chloride hydrochloride;Diisopropylamino)ethyl chloride hydrochloride, 2-(-;W-106268;N-(2-chloroethyl)-N,N-diisopropylamine hydrochloride;Q27265386;n-(2-chloroethyl)-n-isopropylpropan-2-amine hydrochloride;hydrochlorideN-(2-chloroethyl)-N-(1-methylethyl)-2-propanamine

Chemical Property of 2-(Diisopropylamino)ethyl chloride hydrochloride

Chemical Property:

• Appearance/Colour: white to yellow crystalline powder
• Vapor Pressure: 3.46mmHg at 25°C
• Melting Point: 129-132 °C(lit.)
• Boiling Point: 152.7 °C at 760 mmHg
• Flash Point: 46.1 °C
• PSA: 3.24000
• Density: 0.909g/cm3
• LogP: 3.14600
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: H2O: 0.1 g/mL, clear
• Water Solubility.: SOLUBLE
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 199.0894550
• Heavy Atom Count: 11
• Complexity: 73.3

Purity/Quality:

98% ^*data from raw suppliers

2-(Diisopropylamino)-ethylchloride hydrochloride for synthesis. CAS 4261-68-1, pH 4.0 - 4.5 (10 g/l, H O, 20 °C)., for synthesis ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, C, T+
• Hazard Codes: T,C,T+
• Statements: 23/24/25-34-36/37/38-26-24/25
• Safety Statements: 26-36/37/39-45-38-28A-28

MSDS Files:

Useful:

• Canonical SMILES: CC(C)N(CCCl)C(C)C.Cl
• Uses: Organic synthesis especially for introduction of the β-diisopropylaminoethyl radical. 2-Diisopropylaminoethyl chloride hydrochloride is used as an intermediate in pharmaceuticals, agrochemicals, dyestuffs and in organic synthesis.

Technology Process of 2-(Diisopropylamino)ethyl chloride hydrochloride

There total 6 articles about 2-(Diisopropylamino)ethyl chloride hydrochloride 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: 98.54%

2-(diisopropylamino)ethanol (96-80-0) → 1-chloro-2-diisopropylaminoethane hydrochloride (4261-68-1)

Guidance literature:

With thionyl chloride; In toluene; at 20 - 60 ℃; for 5h; Inert atmosphere;

Reference yield: 38.0%

diisopropylamine (108-18-9) + 2-chloro-ethanol (107-07-3) → 1-chloro-2-diisopropylaminoethane hydrochloride (4261-68-1)

Guidance literature:

diisopropylamine; 2-chloro-ethanol; for 5h; Reflux;

With thionyl chloride; at 20 ℃; for 12h;

Reference yield:

diisopropylamine (108-18-9) → 1-chloro-2-diisopropylaminoethane hydrochloride (4261-68-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 200 °C

2: benzene; SOCl₂

With thionyl chloride; benzene;

DOI:10.1021/ja01238a009

upstream raw materials:

2-(diisopropylamino)ethanol

diisopropylamine

2-chloro-ethanol

Downstream raw materials:

[2-(2,6-diisopropyl-phenoxy)-ethyl]-diisopropyl-amine

2-(2-Diisopropylamino-aethoxy)-5-chlor-butyrophenon

2-(2-Diisopropylamino-aethoxy)-3-nitro-butyrophenon

2-(2-Diisopropylamino-aethoxy)-acetophenon

Refernces

• 1、 -. "The preparation method of N, N - diisopropylethylenediamine. Preparation method of". Paragraph 0055; 0129-0138. . Retrieved 2021/08/25.
• 2、 -. "INDENOISOQUINOLINONE DERIVATIVES, MANUFACTURING METHOD AND MEDICAL USE THEREOF". Paragraph 0072; 0073. . Retrieved 2013/04/13.