Isopropyl [bis(2-chloroethyl)]amine hydrochloride

Base Information

• Chemical Name: Isopropyl [bis(2-chloroethyl)]amine hydrochloride
• CAS No.: 24426-36-6
• Molecular Formula: C7H15 Cl2 N . Cl H
• Molecular Weight: 220.59
• DSSTox Substance ID: DTXSID50947299
• Mol file: 24426-36-6.mol

Synonyms:SCHEMBL6756617;DTXSID50947299;MRNUOMIAYMSZOS-UHFFFAOYSA-N;isopropyl [bis(2-chloroethyl)]amine hydrochloride;N,N-bis(2-chloroethyl)propan-2-amine hydrochloride;N,N-Bis(2-chloroethyl)propan-2-amine--hydrogen chloride (1/1)

Chemical Property of Isopropyl [bis(2-chloroethyl)]amine hydrochloride

Chemical Property:

• Vapor Pressure: 3.18mmHg at 25°C
• Boiling Point: 154.4°C at 760 mmHg
• Flash Point: 47.2°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 219.034833
• Heavy Atom Count: 11
• Complexity: 70

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CCCl)CCCl.Cl

Technology Process of Isopropyl [bis(2-chloroethyl)]amine hydrochloride

There total 1 articles about Isopropyl [bis(2-chloroethyl)]amine 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:

N,N-bis(2-hydroxyethyl)isopropylamine (121-93-7) → isopropyl-bis(2-chloroethyl)amine hydrochloride (24426-36-6)

Guidance literature:

With thionyl chloride; chloroform;

Reference yield: 68.0%

2-(4-methoxybenzenesulfonyl)acetic acid ethyl ester (2850-21-7) + isopropyl-bis(2-chloroethyl)amine hydrochloride (24426-36-6) → 1-isopropyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester (212770-90-6)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; In acetone; for 16h; Heating;

DOI:10.1021/jm0205550

Reference yield:

isopropyl-bis(2-chloroethyl)amine hydrochloride (24426-36-6) → 1-isopropyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid (212770-91-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / K₂CO₃; 18-crown-6 / acetone / 16 h / Heating

2: 42 percent / 10 N aq. NaOH / methanol / 72 h / 20 °C

With sodium hydroxide; 18-crown-6 ether; potassium carbonate; In methanol; acetone;

DOI:10.1021/jm0205550

upstream raw materials:

N,N-bis(2-hydroxyethyl)isopropylamine

Downstream raw materials:

10-[3-(4-isopropyl-piperazin-1-yl)-propyl]-10H-phenothiazine

1-isopropyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester

1-isopropyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid

4-{[4-(2-butynyloxy)phenyl]sulfonyl}-N-hydroxy-1-isopropyl-4-piperidine carboxamide