3-chloro-N,N-dimethylpropan-1-amine

Base Information

• Chemical Name: 3-chloro-N,N-dimethylpropan-1-amine
• CAS No.: 109-54-6
• Molecular Formula: C5H12ClN
• Molecular Weight: 121.61
• European Community (EC) Number: 203-679-3
• UNII: G41F3T7H6Q
• DSSTox Substance ID: DTXSID5043849
• Nikkaji Number: J35.164D
• Wikidata: Q72449570
• ChEMBL ID: CHEMBL449411
• Mol file: 109-54-6.mol

Synonyms:dimethylaminopropyl chloride;dimethylaminopropyl chloride hydrochloride

Chemical Property of 3-chloro-N,N-dimethylpropan-1-amine

Chemical Property:

• Vapor Pressure: 9.61mmHg at 25°C
• Melting Point: 168℃
• Refractive Index: 1.4320
• Boiling Point: 130.7 °C at 760 mmHg
• PKA: 9.24±0.28(Predicted)
• Flash Point: 32.8 °C
• PSA: 3.24000
• Density: 0.937 g/cm³
• LogP: 1.17690
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 121.0658271
• Heavy Atom Count: 7
• Complexity: 37.1

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-1-(N,N-dimethyl)propylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCCl
• Uses: 3-Chloro-1-(N,N-dimethyl)propylamine is a genotoxic impurity in drug samples of rizatriptan benzoate. Also, it is the side chain of Chlorpromazine and Amitriptyline.

Technology Process of 3-chloro-N,N-dimethylpropan-1-amine

There total 13 articles about 3-chloro-N,N-dimethylpropan-1-amine 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: 91.07%

3-(dimethylamino)propyl chloride hydrochloride (5407-04-5) → 3-(Dimethylamino)propyl chloride (109-54-6)

Guidance literature:

With sodium hydroxide; In water; at 45 ℃; for 2h;

Reference yield: 91.0%

3-Dimethylamino-1-propanol (3179-63-3) → 3-(Dimethylamino)propyl chloride (109-54-6)

Guidance literature:

With thionyl chloride; for 4h; Reflux;

Reference yield:

N,N-dimethylaminopropane (926-63-6) + chloroform (67-66-3,8013-54-5) + chlorine (7782-50-5) → 2-chloro-1-dimethylaminopropane (108-14-5) + 3-(Dimethylamino)propyl chloride (109-54-6)

Guidance literature:

bei der Reaktion des Hydrochlorids; mit Gluehlampenlicht_.Irradiation;

DOI:10.1021/ja01148a024

upstream raw materials:

3-Dimethylamino-1-propanol

N,N-dimethyl-3-phenoxypropan-1-amine

dimethyl amine

1.3-chlorobromopropane

Downstream raw materials:

dimethyl-(3-thioxanthen-9-yl-propyl)-amine

5-(N,N-dimethylamino)-2-phenyl-2-(2-pyridyl)pentanenitrile

N-<3-Dimethylamino-propyl>-homoacridan

Methylpromazin