5a,7a-Dimethyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl acetate

Base Information Edit

Chemical Name:5a,7a-Dimethyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl acetate
CAS No.:21058-55-9
Molecular Formula:C₂₁H₃₁NO₃
Molecular Weight:345.482
Hs Code.:
NSC Number:137002
DSSTox Substance ID:DTXSID00300436
Mol file:21058-55-9.mol

Synonyms:21058-55-9;5a,7a-dimethyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl acetate;NSC137002;DTXSID00300436;NSC-137002

Suppliers and Price of 5a,7a-Dimethyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl acetate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 2 raw suppliers

Chemical Property of 5a,7a-Dimethyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl acetate Edit

Chemical Property:

Vapor Pressure:2.91E-10mmHg at 25°C
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:345.23039385
Heavy Atom Count:25
Complexity:627

Purity/Quality:: 99%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)NCCC34C)C

Technology Process of 5a,7a-Dimethyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl acetate

There total 4 articles about 5a,7a-Dimethyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl acetate 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: 74.0%

: 59285-18-6
17β-acetoxy-3-hydroximinoandrost-4-ene

: 21058-55-9
3-aza-17β-acetoxy-A-homo-4α-androsten-4-one

Guidance literature:: With thionyl chloride; In 1,4-dioxane; at 0 - 20 ℃; for 3h; Inert atmosphere;
DOI:10.1016/j.steroids.2016.07.009

Reference yield:

: 1045-69-8
testosterone acetate

: 21058-55-9
3-aza-17β-acetoxy-A-homo-4α-androsten-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine; hydroxylamine hydrochloride / 6 h / Reflux

2: thionyl chloride / 1,4-dioxane / 3 h / 0 - 20 °C

With pyridine; thionyl chloride; hydroxylamine hydrochloride; In 1,4-dioxane; 2: |Beckmann Rearrangement;