N-Methylprotriptyline

Base Information

• Chemical Name: N-Methylprotriptyline
• CAS No.: 521-80-2
• Molecular Formula: C20H23N
• Molecular Weight: 277.409
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID00200104
• Nikkaji Number: J12.983F
• Mol file: 521-80-2.mol

Synonyms:N-Methylprotriptyline;521-80-2;EX 4442;BRN 2218577;5-(3-Dimethylaminopropyl)-5H-dibenzo(a,d)cycloheptene;5H-Dibenzo(a,d)cycloheptene-5-propylamine, N,N-dimethyl-;5-(3'-N,N-Dimethylaminopropyl)-5H-dibenzo(a,d)cycloheptene;5H-DIBENZO(a,d)CYCLOHEPTENE, 5-(3-DIMETHYLAMINOPROPYL)-;SCHEMBL11416520;DTXSID00200104;LS-60716

Chemical Property of N-Methylprotriptyline

Chemical Property:

• Vapor Pressure: 7.94E-07mmHg at 25°C
• Boiling Point: 406.8°Cat760mmHg
• Flash Point: 178.2°C
• PSA: 3.24000
• Density: 1.021g/cm³
• LogP: 4.64410
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 277.183049738
• Heavy Atom Count: 21
• Complexity: 320

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCC1C2=CC=CC=C2C=CC3=CC=CC=C13

Technology Process of N-Methylprotriptyline

There total 4 articles about N-Methylprotriptyline 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:

3-amino-5-(3-ethoxypropyl)-7-iodo-5H-dibenzo[a,d]cyclohepten-5-ol (77104-20-2) → N,N-dimethyl-3-(5H-dibenzo[a,d]cyclohepten-5-yl)-propylamine (521-80-2)

Guidance literature:

Reference yield:

5-[3-(N,N-dimethylamino)propyl]-5H-dibenzo[a,d]cyclohepten-5-ol (18029-54-4) → N,N-dimethyl-3-(5H-dibenzo[a,d]cyclohepten-5-yl)-propylamine (521-80-2)

Guidance literature:

With sodium tetrahydroborate; trifluoroacetic acid;

DOI:10.1055/s-1977-24308

Reference yield:

3-(N,N-dimethylamino)propylmagnesium chloride (19070-16-7) + 5-chloro-5H-dibenzo[a,d]cycloheptene (18506-04-2) → N,N-dimethyl-3-(5H-dibenzo[a,d]cyclohepten-5-yl)-propylamine (521-80-2)

Guidance literature:

DOI:10.1021/jm00308a031

upstream raw materials:

5-[3-(N,N-dimethylamino)propyl]-5H-dibenzo[a,d]cyclohepten-5-ol

3-(N,N-dimethylamino)propylmagnesium chloride

5-chloro-5H-dibenzo[a,d]cycloheptene

3-amino-5-(3-ethoxypropyl)-7-iodo-5H-dibenzo[a,d]cyclohepten-5-ol

Downstream raw materials:

Protriptylin