Pargyline

Base Information

• Chemical Name: Pargyline
• CAS No.: 555-57-7
• Molecular Formula: C11H13 N
• Molecular Weight: 159.231
• Hs Code.: 29214900
• European Community (EC) Number: 209-101-6
• UNII: 9MV14S8G3E
• DSSTox Substance ID: DTXSID3023423
• Nikkaji Number: J6.471H
• Wikipedia: Pargyline
• Wikidata: Q781329
• NCI Thesaurus Code: C66322
• Pharos Ligand ID: K1CMT97U5B2Y
• Metabolomics Workbench ID: 43610
• ChEMBL ID: CHEMBL673
• Mol file: 555-57-7.mol

Synonyms:Hydrochloride, Pargyline;Pargyline;Pargyline Hydrochloride

Chemical Property of Pargyline

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0.0736mmHg at 25°C
• Melting Point: 156 - 160 C
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 86-88at4mmHg
• PKA: pKa 6.9 (Uncertain)
• Flash Point: 83
• PSA: 3.24000
• Density: 0.944
• LogP: 1.75160
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98% ^*data from raw suppliers

N-Methyl-N-propargylbenzylamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: T
• Statements: 23/24/25-36/37/38-22
• Safety Statements: 26-36/37/39-45-23

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(CC#C)CC1=CC=CC=C1
• Uses: analgesic
• Therapeutic Function: Antihypertensive

Technology Process of Pargyline

There total 8 articles about Pargyline 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: 86.0%

propargyl bromide (106-96-7) + benzyl-methyl-amine (103-67-3) → Pargyline (555-57-7)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In water; toluene; for 24h; Ambient temperature;

Reference yield: 79.0%

N,N'-dimethylbenzylamine (103-83-3) + calcium carbide (75-20-7) → Pargyline (555-57-7)

Guidance literature:

With copper(I) bromide; diethylazodicarboxylate; In water; acetonitrile; at 80 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c6gc00872k

Reference yield: 77.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + calcium carbide (75-20-7) + benzyl-methyl-amine (103-67-3) → Pargyline (555-57-7)

Guidance literature:

With water; copper(l) chloride; In dimethyl sulfoxide; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.3184/174751917X14949427622099

upstream raw materials:

N-benzyl-2-bromo-N-methylprop-2-en-1-amine

propargyl bromide

benzyl-methyl-amine

methyl(propargyl)amine

Downstream raw materials:

benzyl bromide

2-(dimethylphenyl)silylmethyl-2-propenal

(Z)-2-[(Benzyl-methyl-amino)-methyl]-3-(dimethyl-phenyl-silanyl)-propenal

N-methyl-N-benzylformamide

Refernces

• 1、 An, Rui,Li, Huimin,Liao, Lihao,Wu, Jin-Ji,Xu, Yang,Zhao, Xiaodan. "Catalytic Access to Functionalized Allylic gem-Difluorides via Fluorinative Meyer–Schuster-Like Rearrangement". supporting information. p. 11010 - 11019. Retrieved 2020/05/18.
• 2、 Teong, Siew Ping,Yu, Dingyi,Sum, Yin Ngai,Zhang, Yugen. "Copper catalysed alkynylation of tertiary amines with CaC2: Via sp3 C-H activation". supporting information. p. 3499 - 3502. Retrieved 2016/07/06.