5H-Dibenzo(a,d)cycloheptene-5-amine, 10,11-dihydro-

Base Information

• Chemical Name: 5H-Dibenzo(a,d)cycloheptene-5-amine, 10,11-dihydro-
• CAS No.: 7005-53-0
• Molecular Formula: C15H15 N
• Molecular Weight: 209.291
• European Community (EC) Number: 230-280-1
• NSC Number: 88628
• UNII: GK9DDW5H2J
• DSSTox Substance ID: DTXSID90220336
• Nikkaji Number: J40.882D
• Wikidata: Q83097531
• Mol file: 7005-53-0.mol

Synonyms:7005-53-0;5H-Dibenzo(a,d)cycloheptene-5-amine, 10,11-dihydro-;10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-AMINE;EINECS 230-280-1;NSC 88628;GK9DDW5H2J;BRN 2111539;10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-amine;10,11-Dihydro-5H-dibenzol(a,d)cyclohepten-5-amine;NSC-88628;5H-Dibenzo(a,d)cyclohepten-5-amine, 10,11-dihydro-;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine;10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-amine;5H-Dibenzo[a,d]cyclohepten-5-amine, 10,11-dihydro-;10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-amine;NSC88628;UNII-GK9DDW5H2J;10,d]cyclohepten-5-amine;SCHEMBL113822;DTXSID90220336;WLN: L C676&T&J BZ;AKOS015969444;LS-60667;5-amino-10,11-dihydro-5H-dibenzo[a,d]cycloheptene;5H-Dibenzo(a,d)cyclohepten-5-amine, 10,11-dihydro- (8CI)

Chemical Property of 5H-Dibenzo(a,d)cycloheptene-5-amine, 10,11-dihydro-

Chemical Property:

• Vapor Pressure: 0.000191mmHg at 25°C
• Boiling Point: 328.3°C at 760 mmHg
• Flash Point: 159.4°C
• PSA: 26.02000
• Density: 1.093g/cm³
• LogP: 3.53360
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.120449483
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

99%, ^*data from raw suppliers

10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)N

Technology Process of 5H-Dibenzo(a,d)cycloheptene-5-amine, 10,11-dihydro-

There total 8 articles about 5H-Dibenzo(a,d)cycloheptene-5-amine, 10,11-dihydro- 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: 97.0%

10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one oxime (1785-74-6) → 5-amino-10,11-dihydro-5H-dibenzo[a,d]cycloheptene (7005-53-0)

Guidance literature:

With sodium; In ethanol; Reflux;

DOI:10.1021/jacs.1c11059

Reference yield: 61.0%

→ 5-amino-10,11-dihydro-5H-dibenzo[a,d]cycloheptene (7005-53-0)

Guidance literature:

Reference yield: 22.0%

N-(10,11-dihydro-5H-dibenzocyclohepten-5-yl)phthalimide (59631-14-0) → 5-amino-10,11-dihydro-5H-dibenzo[a,d]cycloheptene (7005-53-0)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran; ethanol; for 3h; Ambient temperature;

DOI:10.1021/jm980440p

upstream raw materials:

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

Noxiptiline hydrochloride

N-(10,11-dihydro-5H-dibenzocyclohepten-5-yl)phthalimide

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

Downstream raw materials:

2-(2,3-6,7-dibenzocycloheptanylamino)acetamide

C₂₂H₁₉N

4-trifluoromethoxy-N-(2-((10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)amino)ethyl)benzenesulfonamide

4-chloro-N-(2-((10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)amino)ethyl)benzenesulfonamide

Refernces

• 1、 -. "MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF". . . Retrieved 2021/01/23.
• 2、 Giles, Robert G.,Heaney, Harry,Plater, M. John. "Reactions of nitrilium salts with indole and pyrrole and their derivatives in the synthesis of imines, ketones and secondary amines". . p. 7367 - 7385. Retrieved 2015/08/24.