Hydrocortisone 21-butyrate

Base Information

• Chemical Name: Hydrocortisone 21-butyrate
• CAS No.: 6677-99-2
• Molecular Formula: C25H36 O6
• Molecular Weight: 432.557
• European Community (EC) Number: 229-715-8
• UNII: XX86T7RLSC
• DSSTox Substance ID: DTXSID00875538
• Nikkaji Number: J67.651I
• Wikipedia: Hydrocortisone_21-butyrate
• Wikidata: Q76415533
• Mol file: 6677-99-2.mol

Synonyms:hydrocortisone 21-butyrate

Chemical Property of Hydrocortisone 21-butyrate

Chemical Property:

• Melting Point: 191-193°C
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 506.2°C (rough estimate)
• Flash Point: 197.7oC
• PSA: 100.90000
• Density: 1.23
• LogP: 3.13260
• Storage Temp.: -20°C Freezer
• Water Solubility.: 7.73mg/L(25 oC)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 432.25118886
• Heavy Atom Count: 31
• Complexity: 817

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Hydrocortisone21-Butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
• Isomeric SMILES: CCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O

Technology Process of Hydrocortisone 21-butyrate

There total 3 articles about Hydrocortisone 21-butyrate 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:

HYDROCORTISONE (50-23-7) + 1,1,1-trimethoxybutane (43083-12-1) → hydrocortisone 17α-butyrate (13609-67-1) + 21-oxobutoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione (6677-99-2)

Guidance literature:

With hydrogenchloride; toluene-4-sulfonic acid; Yield given. Multistep reaction. Yields of byproduct given; 1) acetonitrile, 13 min, 2) acetonitrile, 14 min;

DOI:10.1016/S0039-128X(83)90060-0

Reference yield:

hydrocortisone 17α-butyrate (13609-67-1) → 21-oxobutoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione (6677-99-2)

Guidance literature:

With propylene glycol; at 60 ℃; Rate constant;

DOI:10.1002/jps.2600720715

Reference yield:

→ Hydrocortison-21-butyrat (6677-99-2)

Guidance literature:

Hydrocortisonorthoester, H2SO4;

upstream raw materials:

HYDROCORTISONE

1,1,1-trimethoxybutane

hydrocortisone 17α-butyrate

Refernces

• 1、 Smith,Lee,Bu Lock,et al.. "Development of a specific radioimmunoassay for cortisol 17-butyrate". . p. 23 - 36. Retrieved 2007/10/02.