7alpha-Methoxycarbonyl-15beta,16beta-methylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone

Base Information

Chemical Name:7alpha-Methoxycarbonyl-15beta,16beta-methylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone
CAS No.:84542-26-7
Molecular Formula:C₂₅H₃₂O₅
Molecular Weight:412.526
Hs Code.:
DSSTox Substance ID:DTXSID80920419
Nikkaji Number:J261.783H
Wikidata:Q82893125

Synonyms:7 alpha-methoxycarbonyl-15 beta,16 beta-methylene-3-oxo-17 alpha-pregn-4-ene-21,17-carbolactone;ZK 91587

Suppliers and Price of 7alpha-Methoxycarbonyl-15beta,16beta-methylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone

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
Packaging
price

American Custom Chemicals Corporation
7ALPHA-METHOXYCARBONYL-15BETA,16BETA-METHYLENE-3-OXO-17ALPHA-PREGN-4-ENE-21,17-CARBOLACTONE 95.00%
5MG
$ 498.39

Total 0 raw suppliers

Chemical Property of 7alpha-Methoxycarbonyl-15beta,16beta-methylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone

Chemical Property:

Vapor Pressure:2.13E-13mmHg at 25°C
Boiling Point:578.9°Cat760mmHg
Flash Point:250.4°C
PSA：69.67000
Density:1.26g/cm³
LogP:3.84910
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:412.22497412
Heavy Atom Count:30
Complexity:890

Purity/Quality:: 7ALPHA-METHOXYCARBONYL-15BETA,16BETA-METHYLENE-3-OXO-17ALPHA-PREGN-4-ENE-21,17-CARBOLACTONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(=O)C=C1CC(C3C2CCC4(C3C5CC5C46CCC(=O)O6)C)C(=O)OC
Isomeric SMILES:C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C)C(=O)OC

Technology Process of 7alpha-Methoxycarbonyl-15beta,16beta-methylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone

There total 4 articles about 7alpha-Methoxycarbonyl-15beta,16beta-methylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone 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: 66.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 84529-98-6
7α-carboxy-15β,16β-methylene-3-oxo-17α-pregn-4-ene-21,17-carbolactone

: 84542-26-7
7α-(methoxycarbonyl)-15β,16β-methylene-3-oxo-17α-pregn-4-ene-21,17-carbolactone

Guidance literature:: In dichloromethane;
DOI:10.1021/jm00164a007

Reference yield:

: 97884-19-0,116499-38-8,116499-39-9,116499-40-2,116501-02-1,123805-50-5,123805-51-6
3,5'-dihydroxy-15β,16β-methylene-4-androstene-17-spiro-2'-(tetrahydrofuran)-7α-carbaldehyde

: 84542-26-7
7α-(methoxycarbonyl)-15β,16β-methylene-3-oxo-17α-pregn-4-ene-21,17-carbolactone

Guidance literature:: Multi-step reaction with 2 steps

1: 53 percent / CrO₃, H₂SO₄ (8 N Jones solution) / acetone / 0.5 h / -15 °C

2: 66 percent / CH₂Cl₂

With chromium(VI) oxide; sulfuric acid; In dichloromethane; acetone;
DOI:10.1021/jm00164a007

Reference yield:

: 67372-69-4
15β,16β-methylene-3-oxo-17α-pregna-4,6-diene-21,17-carbolactone

: 84542-26-7
7α-(methoxycarbonyl)-15β,16β-methylene-3-oxo-17α-pregn-4-ene-21,17-carbolactone

Guidance literature:: Multi-step reaction with 4 steps

1: 64 percent / tetrahydrofuran / 3 h / Ambient temperature

2: 100 percent / diisobutylaluminum hydride / toluene / 1 h / -40 °C

3: 53 percent / CrO₃, H₂SO₄ (8 N Jones solution) / acetone / 0.5 h / -15 °C

4: 66 percent / CH₂Cl₂

With chromium(VI) oxide; sulfuric acid; diisobutylaluminium hydride; In tetrahydrofuran; dichloromethane; acetone; toluene;
DOI:10.1021/jm00164a007