Carbamic acid, [(1S,2R)-3-[[(4-cyanophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

Base Information

Chemical Name:Carbamic acid, [(1S,2R)-3-[[(4-cyanophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
CAS No.:553645-10-6
Molecular Formula:C₂₈H₃₅N₃O₇S
Molecular Weight:557.668
Hs Code.:
DSSTox Substance ID:DTXSID601099670
ChEMBL ID:CHEMBL366830

Carbamic acid, [(1S,2R)-3-[[(4-cyanophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

Synonyms:Carbamic acid, [(1S,2R)-3-[[(4-cyanophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester;CHEMBL366830;SCHEMBL13250728;DTXSID601099670;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-1-benzyl-3-[(4-cyanophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]carbamate;553645-10-6

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Chemical Property of Carbamic acid, [(1S,2R)-3-[[(4-cyanophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:557.21957164
Heavy Atom Count:39
Complexity:948

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)C#N
Isomeric SMILES:CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)C#N

Technology Process of Carbamic acid, [(1S,2R)-3-[[(4-cyanophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

There total 5 articles about Carbamic acid, [(1S,2R)-3-[[(4-cyanophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester 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:

: 553645-08-2
{(1S,2R)-1-Benzyl-3-[(4-cyano-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-propyl}-carbamic acid tert-butyl ester

: 553645-10-6
{(1S,2R)-1-Benzyl-3-[(4-cyano-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester

Guidance literature:: Multi-step reaction with 2 steps

1: HCl / propan-2-ol

2: Et₃N / CH₂Cl₂

With hydrogenchloride; triethylamine; In dichloromethane; isopropyl alcohol;
DOI:10.1021/jm049560p

Reference yield:

: 98760-08-8,98818-34-9,98818-35-0,103127-56-6,98737-29-2
(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester

: 553645-10-6
{(1S,2R)-1-Benzyl-3-[(4-cyano-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester

Guidance literature:: Multi-step reaction with 4 steps

1: CH₂Cl₂

2: Et₃N / CH₂Cl₂

3: HCl / propan-2-ol

4: Et₃N / CH₂Cl₂

With hydrogenchloride; triethylamine; In dichloromethane; isopropyl alcohol;
DOI:10.1021/jm049560p

Reference yield:

: 156928-09-5
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol

: 553645-10-6
{(1S,2R)-1-Benzyl-3-[(4-cyano-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂

2: Et₃N / CH₂Cl₂

With triethylamine; In dichloromethane;
DOI:10.1021/jm049560p