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.:90389-36-9
Molecular Formula:C12H19N
Molecular Weight:177.286
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:

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Total 1 raw suppliers

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

Chemical Property:

Boiling Point:251.4°Cat760mmHg
Flash Point:100.9°C
Density:0.899g/cm³
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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

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 2 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: 99.0%

: 110-59-8
pentanonitrile

: 100-52-7
benzaldehyde

: 90389-36-9
N-benzylpentan-1-aminium chloride

Guidance literature:: pentanonitrile; benzaldehyde; With hydrogen; In 2-methyltetrahydrofuran; at 100 ℃; for 20h; under 11251.1 Torr; High pressure; Autoclave;

With hydrogenchloride; In diethyl ether;
DOI:10.1002/chem.202004755

Reference yield: 64.0%

: 110-62-3
pentanal

: 100-47-0
benzonitrile

: 90389-36-9
N-benzylpentan-1-aminium chloride

Guidance literature:: pentanal; benzonitrile; With hydrogen; In 2-methyltetrahydrofuran; at 100 ℃; for 20h; under 11251.1 Torr; High pressure; Autoclave;

With hydrogenchloride; In diethyl ether;
DOI:10.1002/chem.202004755