2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methylhexyl)-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(5-methylhexyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
CAS No.:179893-98-2
Molecular Formula:C33H50N2O3
Molecular Weight:522.7617
Hs Code.:
DSSTox Substance ID:DTXSID00170878
Nikkaji Number:J775.024B
Wikidata:Q83040894
ChEMBL ID:CHEMBL316256

Synonyms:CHEMBL316256;179893-98-2;2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methylhexyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-;(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-one;DMPC Cyclic Urea 57;BDBM77;DTXSID00170878;4alpha,7beta-Dibenzyl-5alpha,6beta-dihydroxy-1,3-bis(5-methylhexyl)hexahydro-2H-1,3-diazepin-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-1,3-bis(5-methylhexyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-

Chemical Property:

Vapor Pressure:2.13E-17mmHg at 25°C
Boiling Point:642.7°Cat760mmHg
Flash Point:342.5°C
Density:1.057g/cm³
XLogP3:7.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:14
Exact Mass:522.38214346
Heavy Atom Count:38
Complexity:603

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCCN1C(C(C(C(N(C1=O)CCCCC(C)C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
Isomeric SMILES:CC(C)CCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCC(C)C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3

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

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

: 58917-85-4
N-(benzyloxycarbonyl)-D-phenylalaninol

: 179893-98-2
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-(5-methyl-hexyl)-[1,3]diazepan-2-one

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) oxalyl chloride, DMSO, 2.) triethylamine / 1.) CH₂Cl₂, -78 deg C, 0.5 h, 2.) CH₂Cl₂, -70 deg C, 2 h

2: 55 percent / VCl₃*(THF)3, Zn / CH₂Cl₂

3: 91 percent / diisopropylethylamine / dimethylformamide / 48 h / 50 °C

4: 52 percent / H₂ / 10percent Pd/C / ethyl acetate; methanol

5: 1.) NaH / 1.) DMF, 15 min, 2.) DMF, a) 0 deg C, 15 min, b) RT, 2 h

6: HCl / methanol; dioxane

With hydrogenchloride; oxalyl dichloride; Vanadium (III) chloride-(tris-tetrahydrofuran); hydrogen; sodium hydride; dimethyl sulfoxide; triethylamine; N-ethyl-N,N-diisopropylamine; zinc; palladium on activated charcoal; In 1,4-dioxane; methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm9602571

Reference yield:

: 63219-70-5
N-(benzyloxycarbonyl)-D-phenylalaninal

: 179893-98-2
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-(5-methyl-hexyl)-[1,3]diazepan-2-one

Guidance literature:: Multi-step reaction with 5 steps

1: 55 percent / VCl₃*(THF)3, Zn / CH₂Cl₂

2: 91 percent / diisopropylethylamine / dimethylformamide / 48 h / 50 °C

3: 52 percent / H₂ / 10percent Pd/C / ethyl acetate; methanol

4: 1.) NaH / 1.) DMF, 15 min, 2.) DMF, a) 0 deg C, 15 min, b) RT, 2 h

5: HCl / methanol; dioxane

With hydrogenchloride; Vanadium (III) chloride-(tris-tetrahydrofuran); hydrogen; sodium hydride; N-ethyl-N,N-diisopropylamine; zinc; palladium on activated charcoal; In 1,4-dioxane; methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm9602571

Reference yield:

: 183814-19-9
((1S,2R,3S,4R)-1-Benzyl-4-benzyloxycarbonylamino-2,3-dihydroxy-5-phenyl-pentyl)-carbamic acid benzyl ester

: 179893-98-2
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-(5-methyl-hexyl)-[1,3]diazepan-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: 91 percent / diisopropylethylamine / dimethylformamide / 48 h / 50 °C

2: 52 percent / H₂ / 10percent Pd/C / ethyl acetate; methanol

3: 1.) NaH / 1.) DMF, 15 min, 2.) DMF, a) 0 deg C, 15 min, b) RT, 2 h

4: HCl / methanol; dioxane

With hydrogenchloride; hydrogen; sodium hydride; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In 1,4-dioxane; methanol; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm9602571