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

Base Information

Chemical Name:2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(3-hydroxypropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS No.:192575-90-9
Molecular Formula:C25H34N2O5
Molecular Weight:442.5479
Hs Code.:
DSSTox Substance ID:DTXSID40172851
Wikidata:Q83042937
ChEMBL ID:CHEMBL28612
Mol file:192575-90-9.mol

Synonyms:192575-90-9;2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(3-hydroxypropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-;(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxypropyl)-1,3-diazepan-2-one;DMPC Cyclic Urea 72;BDBM92;CHEMBL28612;DTXSID40172851

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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-1,3-bis(3-hydroxypropyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-

Chemical Property:

Vapor Pressure:4.32E-19mmHg at 25°C
Boiling Point:674.1°C at 760 mmHg
Flash Point:361.5°C
Density:1.241g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:442.24677219
Heavy Atom Count:32
Complexity:505

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)N2CCCO)CCCO)CC3=CC=CC=C3)O)O
Isomeric SMILES:C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CCCO)CCCO)CC3=CC=CC=C3)O)O

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

There total 4 articles about 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(3-hydroxypropyl)-4,7-bis(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:

: 153223-14-4
(4R,5S,6S,7R)-1,3-Diallyl-4,7-dibenzyl-5,6-dihydroxy-[1,3]diazepan-2-one

: 192575-90-9
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-(3-hydroxy-propyl)-[1,3]diazepan-2-one

Guidance literature:: With sodium tetrahydroborate; ozone; In dichloromethane; at -78 ℃;
DOI:10.1016/S0960-894X(97)00165-0

Reference yield:

: (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-methoxymethoxy-1,3-bis-[3-(tetrahydro-pyran-2-yloxy)-propyl]-[1,3]diazepan-2-one

: 192575-90-9
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-(3-hydroxy-propyl)-[1,3]diazepan-2-one

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; methanol;
DOI:10.1016/S0960-894X(97)00165-0

Reference yield:

: (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-methoxymethoxy-[1,3]diazepan-2-one

: 192575-90-9
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-(3-hydroxy-propyl)-[1,3]diazepan-2-one

Guidance literature:: Multi-step reaction with 3 steps

2: HCl, H₂O / methanol

3: O₃, NaBH₄ / CH₂Cl₂ / -78 °C

With hydrogenchloride; sodium tetrahydroborate; water; ozone; In methanol; dichloromethane;
DOI:10.1016/S0960-894X(97)00165-0