1-[4-(4-Heptyl-5-methyl-2-oxo-1,5-diazocan-1-yl)butyl]-5-methyl-4-pentyl-1,5-diazocan-2-one

Base Information

Chemical Name:1-[4-(4-Heptyl-5-methyl-2-oxo-1,5-diazocan-1-yl)butyl]-5-methyl-4-pentyl-1,5-diazocan-2-one
CAS No.:49620-03-3
Molecular Formula:C30H58N4O2
Molecular Weight:506.81
Hs Code.:
DSSTox Substance ID:DTXSID30702489
Nikkaji Number:J10.368C
Mol file:49620-03-3.mol

Synonyms:hopromine

Suppliers and Price of 1-[4-(4-Heptyl-5-methyl-2-oxo-1,5-diazocan-1-yl)butyl]-5-methyl-4-pentyl-1,5-diazocan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-[4-(4-Heptyl-5-methyl-2-oxo-1,5-diazocan-1-yl)butyl]-5-methyl-4-pentyl-1,5-diazocan-2-one

Chemical Property:

PSA：47.10000
LogP:5.30460
XLogP3:6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:15
Exact Mass:506.45597711
Heavy Atom Count:36
Complexity:614

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC1CC(=O)N(CCCN1C)CCCCN2CCCN(C(CC2=O)CCCCC)C
Description The structure of hopromine, isolated from Homalium pornyense has also been elucidated. The base is laevorotatory with a specific rotation of [α]D - 10° (c 3.0, CHCI3).

Technology Process of 1-[4-(4-Heptyl-5-methyl-2-oxo-1,5-diazocan-1-yl)butyl]-5-methyl-4-pentyl-1,5-diazocan-2-one

There total 12 articles about 1-[4-(4-Heptyl-5-methyl-2-oxo-1,5-diazocan-1-yl)butyl]-5-methyl-4-pentyl-1,5-diazocan-2-one 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%

: 109748-87-0
(Z)-1-(4-heptyl-5-methyl-2-oxo-1,5-diazacyclooctanyl)-4-(5-methyl-2-oxo-4-pentyl-1,5-diazacyclooctanyl)but-2-ene

: 49620-03-3,109836-19-3,109836-20-6
hopromine

Guidance literature:: With hydrogenchloride; platinum(IV) oxide; In methanol; at 20 ℃; under 760 Torr;
DOI:10.1016/S0040-4039(00)85156-4

Reference yield:

: 109742-00-9
4-Pentyl-azetidin-2-one

: 49620-03-3,109836-19-3,109836-20-6
hopromine

Guidance literature:: Multi-step reaction with 6 steps

1: 80 percent / KOH / dimethylsulfoxide / 18 h

2: 96 percent / NH₃ liq. / 240 h

3: acetonitrile; H₂O / 0.08 h / Ambient temperature

4: NaBH₃CN, AcOH / acetonitrile; H₂O / 1 h

5: 1.) potassium bis(trimethylsilyl)amide, 3.) NaH / 1.) THF, toluene, 0 deg C, 30 min, 2.) THF, toluene, 20 deg C, 24 h, 3.)THF, toluene, RT, 10 d

6: 98 percent / H₂, conc. aq. HCl / Pt / methanol / 3 h / 1 Torr / Ambient temperature

With hydrogenchloride; potassium hydroxide; ammonia; hydrogen; potassium hexamethylsilazane; sodium hydride; sodium cyanoborohydride; acetic acid; platinum; In methanol; water; dimethyl sulfoxide; acetonitrile;

Reference yield:

: 109742-01-0
4-Heptyl-azetidin-2-one

: 49620-03-3,109836-19-3,109836-20-6
hopromine

Guidance literature:: Multi-step reaction with 7 steps

1: 72 percent / KOH / dimethylsulfoxide / 18 h

2: 85 percent / NH₃ liq. / 168 h

3: acetonitrile; H₂O / 0.08 h / Ambient temperature

4: NaBH₃CN, AcOH / acetonitrile; H₂O / 1 h

5: 1.) potassium bis(trimethylsilyl)amide / 1.) THF, 2.) THF, 50 h

6: 1.) potassium bis(trimethylsilyl)amide, 3.) NaH / 1.) THF, toluene, 0 deg C, 30 min, 2.) THF, toluene, 20 deg C, 24 h, 3.)THF, toluene, RT, 10 d

7: 98 percent / H₂, conc. aq. HCl / Pt / methanol / 3 h / 1 Torr / Ambient temperature

With hydrogenchloride; potassium hydroxide; ammonia; hydrogen; potassium hexamethylsilazane; sodium hydride; sodium cyanoborohydride; acetic acid; platinum; In methanol; water; dimethyl sulfoxide; acetonitrile;