5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-diethyl-

Base Information

• Chemical Name: 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-diethyl-
• CAS No.: 4687-46-1
• Molecular Formula: C22H27N
• Molecular Weight: 305.4565
• DSSTox Substance ID: DTXSID10196968
• Nikkaji Number: J171.288H
• Mol file: 4687-46-1.mol

Synonyms:BRN 2813669;4687-46-1;5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-diethyl-;N,N-Diethyl-10,11-dihydro-5H-dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine;DTXSID10196968;LS-60745;5H-Dibenzo[a,d]cycloheptene-.delta.5,.gamma.-propylamine, N,N-diethyl-10,11-dihydro-;N,N-Diethyl-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propanamine

Chemical Property of 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-diethyl-

Chemical Property:

• Vapor Pressure: 1.9E-07mmHg at 25°C
• Boiling Point: 425.5°Cat760mmHg
• Flash Point: 187.4°C
• PSA: 3.24000
• Density: 1.05g/cm³
• LogP: 4.94880
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 305.214349865
• Heavy Atom Count: 23
• Complexity: 355

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31

Technology Process of 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-diethyl-

There total 4 articles about 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-diethyl- 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:

5-Hydroxy-5-<3-diethylamino-propyl>-dibenzo<1,4>cycloheptadien (4295-67-4) → 5-<3-Diaethylamino-propyliden>-dibenzo<1,4>cycloheptadien (4687-46-1)

Guidance literature:

With acetic anhydride; Heating;

DOI:10.1021/jo01048a057

Reference yield:

10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one (1210-35-1) → 5-<3-Diaethylamino-propyliden>-dibenzo<1,4>cycloheptadien (4687-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, (ii) /BRN= 1454355/, THF

2: Ac₂O / Heating

With acetic anhydride;

DOI:10.1021/jo01048a057

Reference yield:

3-diethylaminopropyl chloride (104-77-8) → 5-<3-Diaethylamino-propyliden>-dibenzo<1,4>cycloheptadien (4687-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, (ii) /BRN= 1454355/, THF

2: Ac₂O / Heating

With acetic anhydride;

DOI:10.1021/jo01048a057

upstream raw materials:

5-Hydroxy-5-<3-diethylamino-propyl>-dibenzo<1,4>cycloheptadien

10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one

3-diethylaminopropyl chloride

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