6-Aminomethyl-5,6-dihydromorphanthridine

Base Information

• Chemical Name: 6-Aminomethyl-5,6-dihydromorphanthridine
• CAS No.: 41218-84-2
• Molecular Formula: C15H16 N2
• Molecular Weight: 224.305
• Hs Code.: 2933990090
• European Community (EC) Number: 820-948-6
• UNII: 0R7CLM5N6F
• DSSTox Substance ID: DTXSID001237292
• Nikkaji Number: J1.976.940B
• Mol file: 41218-84-2.mol

Synonyms:41218-84-2;6-Aminomethyl-5,6-dihydromorphanthridine;6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethanamine;Aminomethyl dibenzazepine;0R7CLM5N6F;(6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine;5H-Dibenz[b,e]azepine-6-methanamine, 6,11-dihydro-;5H-Dibenz(b,E)azepine-6-methanamine, 6,11-dihydro-;(6,11-Dihydro-5H-dibenzo(b,E)azepin-6-yl)methanamine;UNII-0R7CLM5N6F;SCHEMBL5365272;Aminomethyl dibenzazepine [USP];FPKDBVUHIXYLNP-UHFFFAOYSA-N;DTXSID001237292;AMINOMETHYL DIBENZAZEPINE [USP IMPURITY];6,11-Dihydro-5H-dibenz[b,e]azepine-6-methanamine;6,11-Dihydro-5H-dibenzo[b,e]azepine-6-methanamine;6-aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine

Chemical Property of 6-Aminomethyl-5,6-dihydromorphanthridine

Chemical Property:

• Boiling Point: 401.9±24.0 °C(Predicted)
• PKA: 9.42±0.29(Predicted)
• PSA: 38.05000
• Density: 1.096
• LogP: 3.54100
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 224.131348519
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99.9% ^*data from raw suppliers

(6,?11-?Dihydro-?5H-?dibenzo[b,?e]?azepin-?6-?yl)?methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN
• Uses: (6,?11-?Dihydro-?5H-?dibenzo[b,?e]?azepin-?6-?yl)?methanamine is an impurity of Epinastine (E588560), a tetracyclic, non-sedating histamine H1 receptor antagonist. Antihistaminic.

Technology Process of 6-Aminomethyl-5,6-dihydromorphanthridine

There total 33 articles about 6-Aminomethyl-5,6-dihydromorphanthridine 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: 98.0%

6-cyclopropylaminomethyl-6,11-dihydro-5H-dibenz(b,e)azepine → 6-aminomethyl-6,11-dihydro-5H-dibenzo[b,e]azepine (41218-84-2)

Guidance literature:

With hydrogenchloride; In water; glycerol; at 20 - 110 ℃; for 2.5h; Time;

Reference yield: 93.5%

6,11-dihydro-5H-dibenzo[b,e]azepine-6-carbonitrile → 6-aminomethyl-6,11-dihydro-5H-dibenzo[b,e]azepine (41218-84-2)

Guidance literature:

With ammonia; hydrogen; In methanol; at 30 ℃; for 6h; under 22502.3 Torr; Pressure; Temperature; Autoclave;

Reference yield: 81.87%

11H-dibenzazepine-6-carbonitrile (80012-69-7) → 6-aminomethyl-6,11-dihydro-5H-dibenzo[b,e]azepine (41218-84-2)

Guidance literature:

11H-dibenzazepine-6-carbonitrile; With nickel(II) chloride hexahydrate; In tetrahydrofuran; at 0 - 5 ℃;

With sodium tetrahydroborate; at 40 - 50 ℃; for 4h;

upstream raw materials:

11H-dibenzazepine-6-carbonitrile

6-chloro-11H-dibenzazepine

6-cyano-azepine

N-[2-(phenylmethyl)phenyl]-2-chloroacetamide

Downstream raw materials:

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

epinastine

epinastine hydrochloride

1,2,3,4,10,14b-hexahydrodibenzo[c,f]-pyrazino[1,2-a]azepine

Refernces

• 1、 Huang, Xueliang,Ma, Liyao,Xia, Jiajin,Xin, Luoting,Yu, Yinghua,Zhu, Lei. "A Modular Approach to Dibenzo-fused ?-Lactams: Palladium-Catalyzed Bridging-C?H Activation". . p. 18261 - 18266. Retrieved 2020/08/21.
• 2、 -. "A synthesis method of epinastine hydrochloride". Paragraph 0061; 0063; 0064; 0068. . Retrieved 2018/12/13.