(2-Chloroethyl)diethylamine

Base Information

• Chemical Name: (2-Chloroethyl)diethylamine
• CAS No.: 100-35-6
• Molecular Formula: C6H14 Cl N
• Molecular Weight: 135.637
• Hs Code.: 2921199090
• European Community (EC) Number: 202-843-1
• UNII: BKE4K6N7IF
• DSSTox Substance ID: DTXSID8043868
• Nikkaji Number: J35.163F
• Wikidata: Q27274726
• ChEMBL ID: CHEMBL3301805
• Mol file: 100-35-6.mol

Synonyms:2-chloro-N,N-diethylethylamine;beta-diethylaminoethyl chloride;N,N-diethyl-2-chloroethylamine;N,N-diethyl-2-chloroethylamine hydrochloride;N,N-diethyl-2-chloroethylamine sulfate (1:1);N,N-diethyl-2-chloroethylamine sulfate (2:1)

Chemical Property of (2-Chloroethyl)diethylamine

Chemical Property:

• Vapor Pressure: 20.3mmHg at 25°C
• Melting Point: 173-175 °C
• Refractive Index: 1.4530 (estimate)
• Boiling Point: 114°Cat760mmHg
• PKA: 9.37±0.25(Predicted)
• Flash Point: 22.8°C
• PSA: 3.24000
• Density: g/cm³
• LogP: 1.56700
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 135.0814771
• Heavy Atom Count: 8
• Complexity: 43.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCCl

Technology Process of (2-Chloroethyl)diethylamine

There total 8 articles about (2-Chloroethyl)diethylamine 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: 85.67%

→ 2-(diethylamino)ethyl chloride (100-35-6)

Guidance literature:

With thionyl chloride; In toluene; at 25 ℃; for 12h;

Reference yield: 78.0%

2-chloro-N,N-diethylethylamine hydrochloride (869-24-9) → 2-(diethylamino)ethyl chloride (100-35-6)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 0.25h;

DOI:10.1002/ejoc.202101072

Reference yield:

N,N-diethylethanolammonium chloride (14426-20-1) → 2-(diethylamino)ethyl chloride (100-35-6)

Guidance literature:

With thionyl chloride; at 70 - 80 ℃;

upstream raw materials:

N,N-diethylethanolammonium chloride

2-(Diethylamino)ethanol

diethylaziridinium chloride

2-chloro-N,N-diethylethylamine hydrochloride

Downstream raw materials:

diethyl-(3-[2]pyridyl-propyl)-amine

1-(2-diethylamino-ethyl)-indole

1-(2-diethylamino-ethyl)-hexahydro-azepine

3-<2-Diaethylaminoaethyl>-2-benzoxazolin

Refernces

• 1、 Dong, Ze-Xi,Shi, Zhi-Hao,Li, Nian-Guang,Zhang, Wei,Gu, Ting,Zhang, Peng-Xuan,Wu, Wen-Yu,Tang, Yu-Ping,Fang, Fang,Xue, Xin,Li, He-Min,Cheng, Hai-Bo,Yang, Jian-Ping,Duan, Jin-Ao. "Design, Synthesis, and Biological Evaluation of Scutellarein Derivatives Based on Scutellarin Metabolic Mechanism in Vivo". . p. 946 - 957. Retrieved 2016/05/24.
• 2、 Shi, Zhi-Hao,Li, Nian-Guang,Shi, Qian-Ping,Zhang, Wei,Dong, Ze-Xi,Tang, Yu-Ping,Zhang, Peng-Xuan,Gu, Ting,Wu, Wen-Yu,Fang, Fang,Xin-Xue,Li, He-Min,Yang, Jian-Ping,Duan, Jin-Ao. "Synthesis of scutellarein derivatives to increase biological activity and water solubility". . p. 6875 - 6884. Retrieved 2015/11/11.