Calcitriol-ang

Base Information

Chemical Name:Calcitriol-ang
CAS No.:98728-28-0
Molecular Formula:C₃₅H₄₉N₅O₆
Molecular Weight:635.804
Hs Code.:
Mol file:98728-28-0.mol

Synonyms:1,25-dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate);calcitriol-ANG

Suppliers and Price of Calcitriol-ang

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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price

Total 0 raw suppliers

Chemical Property of Calcitriol-ang

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:g/cm³
XLogP3:8.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:635.36828430
Heavy Atom Count:46
Complexity:1240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)OC(=O)CNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-])C
Isomeric SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C\3/CC(C[C@@H](C3=C)O)OC(=O)CNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-])C

Technology Process of Calcitriol-ang

There total 8 articles about Calcitriol-ang 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:

: (4-Azido-2-nitro-phenylamino)-acetic acid (1R,3S)-3-(tert-butyl-dimethyl-silanyloxy)-5-[2-[(1R,3aS,7aR)-1-((R)-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-4-methylene-cyclohexyl ester

: 98728-28-0
(4-Azido-2-nitro-phenylamino)-acetic acid (1R,3S)-3-hydroxy-5-[2-[(1R,3aS,7aR)-1-((R)-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-4-methylene-cyclohexyl ester

Guidance literature:: With hydrogen fluoride; In acetonitrile;
DOI:10.1039/c39850000702

Reference yield:

: 38873-75-5
N-(4-azido-2-nitrophenyl) glycine

: 98728-28-0
(4-Azido-2-nitro-phenylamino)-acetic acid (1R,3S)-3-hydroxy-5-[2-[(1R,3aS,7aR)-1-((R)-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-4-methylene-cyclohexyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: DCC, DMAP / CH₂Cl₂

2: 5percent HF / acetonitrile

With dmap; hydrogen fluoride; dicyclohexyl-carbodiimide; In dichloromethane; acetonitrile;
DOI:10.1039/c39850000702

Reference yield:

: 98728-26-8
1α-tert-butyldimethylsilylether of 1α-25-dihydroxyvitamin D₃

: 98728-28-0
(4-Azido-2-nitro-phenylamino)-acetic acid (1R,3S)-3-hydroxy-5-[2-[(1R,3aS,7aR)-1-((R)-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-4-methylene-cyclohexyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: DCC, DMAP / CH₂Cl₂

2: 5percent HF / acetonitrile

With dmap; hydrogen fluoride; dicyclohexyl-carbodiimide; In dichloromethane; acetonitrile;
DOI:10.1039/c39850000702