(20R)-3-Oxopregn-4-ene-20-carbaldehyde

Base Information

• Chemical Name: (20R)-3-Oxopregn-4-ene-20-carbaldehyde
• CAS No.: 66289-21-2
• Molecular Formula: C22H32O2
• Molecular Weight: 328.495
• European Community (EC) Number: 266-300-0
• DSSTox Substance ID: DTXSID601276189
• Nikkaji Number: J286.756G
• Mol file: 66289-21-2.mol

Synonyms:(20R)-3-oxopregn-4-ene-20-carboxaldehyde;(20R)-3-Oxopregn-4-ene-20-carbaldehyde;EINECS 266-300-0;SCHEMBL9483642;XVPJEGGIGJLDQK-IJDPAOOOSA-N;DTXSID601276189;NSC 9137;4-Pregnene-20b-carboxaldehyde-3-one;(20R)-3-oxopregn-4-ene-20carboxaldehyde;NS00053759

Chemical Property of (20R)-3-Oxopregn-4-ene-20-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 459.432°C at 760 mmHg
• Flash Point: 170.979°C
• PSA: 34.14000
• Density: 1.074g/cm³
• LogP: 4.96950
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 328.240230259
• Heavy Atom Count: 24
• Complexity: 591

Purity/Quality:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
• Isomeric SMILES: C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

Technology Process of (20R)-3-Oxopregn-4-ene-20-carbaldehyde

There total 9 articles about (20R)-3-Oxopregn-4-ene-20-carbaldehyde 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:

(20S)-3-oxopregn-4-ene-20-carboxaldehyde (3986-89-8) → Dinorcholenaldehyde (66289-21-2)

Guidance literature:

With sodium acetate; acetic anhydride; Behandeln des Reaktionsprodukts mit Natriummethylat in Methanol;

Reference yield:

21ξ-piperidino-23,24-dinor-chola-4,20-dien-3-one; hydrochloride → Dinorcholenaldehyde (66289-21-2)

Guidance literature:

With water;

DOI:10.1021/ja01134a048

Reference yield:

methanol (67-56-1) + 21ξ-acetoxy-23,24-dinor-chola-4,20-dien-3-one (73204-94-1) + sodium methylate (124-41-4) → Dinorcholenaldehyde (66289-21-2)

Guidance literature:

upstream raw materials:

methanol

21ξ-acetoxy-23,24-dinor-chola-4,20-dien-3-one

sodium methylate

(20S)-3-oxopregn-4-ene-20-carboxaldehyde

Downstream raw materials:

23,24-Bisnorchola-1,4-dien-3-one-22-carboxylic acid

3-oxo-23,24-dinor-chol-4-en-21-oic acid

20-Methyl-5α-pregnan