(2S)-1-[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid

Base Information

Chemical Name:(2S)-1-[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid
CAS No.:117085-60-6
Molecular Formula:C25H33 N2 O6 P
Molecular Weight:488.51
Hs Code.:
DSSTox Substance ID:DTXSID50922283
Wikidata:Q82895681
Pharos Ligand ID:6BDQ9DMVHZX6
ChEMBL ID:CHEMBL284734
Mol file:117085-60-6.mol

Synonyms:2,3-DAHPIC;2,3-dihydro-1-(6-amino-2-((hydroxy-(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-1H-indole-2-carboxylic acid

Suppliers and Price of (2S)-1-[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of (2S)-1-[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid

Chemical Property:

Vapor Pressure:2.36E-24mmHg at 25°C
Boiling Point:761.1°Cat760mmHg
Flash Point:414.1°C
PSA：139.97000
Density:1.292g/cm³
LogP:4.51670
XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:488.20762377
Heavy Atom Count:34
Complexity:714

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(N(C2=CC=CC=C21)C(=O)C(CCCCN)OP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O
Isomeric SMILES:C1[C@H](N(C2=CC=CC=C21)C(=O)[C@H](CCCCN)OP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O

Technology Process of (2S)-1-[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid

There total 9 articles about (2S)-1-[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid 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:

: 117085-67-3
*,R^*)>-2,3-dihydro-1-<2-<oxy>-1-oxo-6-<<(phenylmethoxy)carbonyl>amino>hexyl>-1H-indole-2-carboxylic acid diphenylmethyl ester

: 117085-60-6
*,R^*)>-2,3-dihydro-1-<6-amino-2-<oxy>-1-oxohexyl>-1H-indole-2-carboxylic acid

Guidance literature:: With hydrogen; palladium dihydroxide; In methanol; for 2h; Yield given;
DOI:10.1021/jm00167a028

Reference yield:

: 86552-32-1
(4-phenylbutyl)phosphinic acid

: 117085-60-6
*,R^*)>-2,3-dihydro-1-<6-amino-2-<oxy>-1-oxohexyl>-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: N,N'-dicyclohexylcarbodiimide, 4-(dimethylamino)pyridine / tetrahydrofuran / 2 h / Ambient temperature

2: NaIO₄ / dioxane; H₂O / 16 h / Ambient temperature

3: H₂ / 20percent Pd(OH)2/C / methanol / 2 h

With dmap; sodium periodate; hydrogen; dicyclohexyl-carbodiimide; palladium dihydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; water;
DOI:10.1021/jm00167a028

Reference yield:

: 59221-35-1
(S)-6-[[(Phenylmethoxy)carbonyl]amino]-2-hydroxyhexanoic acid

: 117085-60-6
*,R^*)>-2,3-dihydro-1-<6-amino-2-<oxy>-1-oxohexyl>-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 7 steps

1: triethylamine, 4-(dimethylamino)pyridine / tetrahydrofuran / 1 h / 0 °C

2: triethylamine, 4-(dimethylamino)pyridine / tetrahydrofuran / 16 h / Ambient temperature

3: 1.0 N LiOH / dioxane / 16 h / Ambient temperature

4: ethyl acetate / 1.5 h / Ambient temperature

5: N,N'-dicyclohexylcarbodiimide, 4-(dimethylamino)pyridine / tetrahydrofuran / 2 h / Ambient temperature

6: NaIO₄ / dioxane; H₂O / 16 h / Ambient temperature

7: H₂ / 20percent Pd(OH)2/C / methanol / 2 h

With dmap; lithium hydroxide; sodium periodate; hydrogen; triethylamine; dicyclohexyl-carbodiimide; palladium dihydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; water; ethyl acetate;
DOI:10.1021/jm00167a028