tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate

Base Information

Chemical Name:tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
CAS No.:138483-63-3
Molecular Formula:C39H51N3O7
Molecular Weight:673.85
Hs Code.:
DSSTox Substance ID:DTXSID40160692
Nikkaji Number:J477.339J
Wikidata:Q83029042
ChEMBL ID:CHEMBL2062158
Mol file:138483-63-3.mol

tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate

Synonyms:L 689502;L-689,502

Suppliers and Price of tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 2 raw suppliers

Chemical Property of tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate

Chemical Property:

Vapor Pressure:9.83E-34mmHg at 25°C
Boiling Point:886.9°Cat760mmHg
Flash Point:490.2°C
Density:1.24g/cm³
XLogP3:4.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:16
Exact Mass:673.37270097
Heavy Atom Count:49
Complexity:1000

Purity/Quality:: ≥98% (HPLC) ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CC(CC2=CC=C(C=C2)OCCN3CCOCC3)C(=O)NC4C(CC5=CC=CC=C45)O)O
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=C(C=C2)OCCN3CCOCC3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O

Technology Process of tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate

There total 14 articles about tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate 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: 98.9%

: 3240-94-6
N-(2-chlorethyl)morpholine

: 138498-62-1
N-(2(R)-hydroxy-1(S)-indanyl)-5(S)-[1,1-dimethylethoxy-carbonylamino]-4(S)-hydroxy-6-phenyl-2(R)-(4-hydroxyphenylmethyl) hexanamide

: 138483-63-3
L-689502

Guidance literature:: With caesium carbonate; In 1,4-dioxane; at 80 ℃; for 36h;
DOI:10.1021/jm00088a003

Reference yield:

: N-((1S,2S)-2-Hydroxy-indan-1-yl)-benzamide

: 138483-63-3
L-689502

Guidance literature:: Multi-step reaction with 9 steps

1: SOCl₂ / CH₂Cl₂ / 16 h / Ambient temperature

2: 88 percent / aq. H₂SO₄ / H₂O / 16 h / Heating

3: 97 percent / 1-hydroxybenzotriazole hydrate, dimethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride, triethylamine / dimethylformamide / 16 h

4: 40 percent / trifluoroacetic acid / CHCl₃ / 2.5 h

5: 93 percent / 20percent aq. NaOH / ethanol / 16 h / Heating

6: 66 percent / 1-hydroxybenzotriazole hydrate, dimethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride, N-methylmorpholine / dimethylformamide / 17 h

7: 8.5 g / tetra-n-butylammonium fluoride / tetrahydrofuran / 20 h

8: 98 percent / H₂ / 10percent Pd/C / tetrahydrofuran; methanol / 96 h

9: 98.9 percent / Cs₂CO₃ / dioxane / 36 h / 80 °C

With 4-methyl-morpholine; sodium hydroxide; thionyl chloride; dimethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride; sulfuric acid; tetrabutyl ammonium fluoride; hydrogen; caesium carbonate; 1-hydroxybenzotriazol-hydrate; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; dichloromethane; chloroform; water; N,N-dimethyl-formamide;
DOI:10.1021/jm00088a003

Reference yield:

: 7480-35-5,13286-59-4,74165-73-4,126456-43-7,136030-00-7,140632-19-5,140632-20-8
trans-1-aminoindan-2-ol

: 138483-63-3
L-689502

Guidance literature:: Multi-step reaction with 10 steps

1: 20percent aq. NaOH / toluene / 24 h

2: SOCl₂ / CH₂Cl₂ / 16 h / Ambient temperature

3: 88 percent / aq. H₂SO₄ / H₂O / 16 h / Heating

4: 97 percent / 1-hydroxybenzotriazole hydrate, dimethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride, triethylamine / dimethylformamide / 16 h

5: 40 percent / trifluoroacetic acid / CHCl₃ / 2.5 h

6: 93 percent / 20percent aq. NaOH / ethanol / 16 h / Heating

7: 66 percent / 1-hydroxybenzotriazole hydrate, dimethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride, N-methylmorpholine / dimethylformamide / 17 h

8: 8.5 g / tetra-n-butylammonium fluoride / tetrahydrofuran / 20 h

9: 98 percent / H₂ / 10percent Pd/C / tetrahydrofuran; methanol / 96 h

10: 98.9 percent / Cs₂CO₃ / dioxane / 36 h / 80 °C

With 4-methyl-morpholine; sodium hydroxide; thionyl chloride; dimethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride; sulfuric acid; tetrabutyl ammonium fluoride; hydrogen; caesium carbonate; 1-hydroxybenzotriazol-hydrate; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; dichloromethane; chloroform; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm00088a003