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

Base Information

Chemical Name:2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-((3-(hydroxymethyl)phenyl)methyl)-3-(5-hydroxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS No.:167824-71-7
Molecular Formula:C₃₂H₄₀N₂O₅
Molecular Weight:532.68
Hs Code.:
DSSTox Substance ID:DTXSID30168389
Wikidata:Q83037985
ChEMBL ID:CHEMBL29011

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

Synonyms:CHEMBL29011;167824-71-7;2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-((3-(hydroxymethyl)phenyl)methyl)-3-(5-hydroxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-;2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-[[3-(hydroxymethyl)phenyl]methyl]-3-(5-hydroxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-;DTXSID30168389;BDBM50289438;(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-[[3-(hydroxymethyl)phenyl]methyl]-3-(5-hydroxypentyl)-1,3-diazepan-2-one;(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxymethyl-benzyl)-3-(5-hydroxy-pentyl)-[1,3]diazepan-2-one

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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-(hydroxymethyl)phenyl)methyl)-3-(5-hydroxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-

Chemical Property:

Vapor Pressure:1.99E-23mmHg at 25°C
Boiling Point:746.8°Cat760mmHg
Flash Point:405.5°C
Density:1.238g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:532.29372238
Heavy Atom Count:39
Complexity:711

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)CO)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)CO)CC4=CC=CC=C4)O)O

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

There total 5 articles about 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-((3-(hydroxymethyl)phenyl)methyl)-3-(5-hydroxypentyl)-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:

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

: 167824-71-7
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxymethyl-benzyl)-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

: 167824-71-7
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxymethyl-benzyl)-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

: 167824-71-7
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxymethyl-benzyl)-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