2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3,4,7-tris(phenylmethyl)-, (4R,5S,6S,7R)-

Base Information

Chemical Name:2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3,4,7-tris(phenylmethyl)-, (4R,5S,6S,7R)-
CAS No.:167824-49-9
Molecular Formula:C₃₁H₃₈N₂O₄
Molecular Weight:502.654
Hs Code.:
DSSTox Substance ID:DTXSID10168382
Wikidata:Q83037976
ChEMBL ID:CHEMBL287635
Mol file:167824-49-9.mol

Synonyms:CHEMBL287635;167824-49-9;2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3,4,7-tris(phenylmethyl)-, (4R,5S,6S,7R)-;DTXSID10168382;BDBM50289440;(4R,5S,6S,7R)-1,4,7-tribenzyl-5,6-dihydroxy-3-(5-hydroxypentyl)-1,3-diazepan-2-one;(4R,5S,6S,7R)-1,4,7-Tribenzyl-5,6-dihydroxy-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one

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Supply Marketing:

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

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Chemical Property of 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3,4,7-tris(phenylmethyl)-, (4R,5S,6S,7R)-

Chemical Property:

Vapor Pressure:2.1E-20mmHg at 25°C
Boiling Point:697.2°C at 760 mmHg
Flash Point:375.5°C
Density:1.207g/cm³
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:502.28315770
Heavy Atom Count:37
Complexity:658

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CCCCCO)CC3=CC=CC=C3)CC4=CC=CC=C4)O)O
Isomeric SMILES:C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CCCCCO)CC3=CC=CC=C3)CC4=CC=CC=C4)O)O

Technology Process of 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3,4,7-tris(phenylmethyl)-, (4R,5S,6S,7R)-

There total 5 articles about 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3,4,7-tris(phenylmethyl)-, (4R,5S,6S,7R)- 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:

: 37935-47-0
2-(5-bromopentyloxy)tetrahydropyran

: 167824-49-9
(4R,5S,6S,7R)-1,4,7-Tribenzyl-5,6-dihydroxy-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: NaH / dimethylformamide

With sodium hydride; In N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(97)00165-0

Reference yield:

: 32767-70-7
2-(pentyloxy)tetrahydro-2H-pyran

: 167824-49-9
(4R,5S,6S,7R)-1,4,7-Tribenzyl-5,6-dihydroxy-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: CBr₃, PPh₃

2: NaH / dimethylformamide

With carbon tetrabromide; sodium hydride; triphenylphosphine; In N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(97)00165-0

Reference yield:

: 71-41-0
pentan-1-ol

: 167824-49-9
(4R,5S,6S,7R)-1,4,7-Tribenzyl-5,6-dihydroxy-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one

Guidance literature:: Multi-step reaction with 5 steps

2: CBr₃, PPh₃

3: NaH / dimethylformamide

With carbon tetrabromide; sodium hydride; triphenylphosphine; In N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(97)00165-0