(1s,2s,4As,4br,10ar)-1-ethyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid

Base Information

Chemical Name:(1s,2s,4As,4br,10ar)-1-ethyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid
CAS No.:3727-71-7
Molecular Formula:C18H26O3
Molecular Weight:290.3972
Hs Code.:
NSC Number:92330
DSSTox Substance ID:DTXSID40293792
Wikidata:Q82032747
Mol file:3727-71-7.mol

Synonyms:3727-71-7;(1s,2s,4as,4br,10ar)-1-ethyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid;NSC92330;DTXSID40293792;NSC-92330

Suppliers and Price of (1s,2s,4As,4br,10ar)-1-ethyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid

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
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Total 4 raw suppliers

Chemical Property of (1s,2s,4As,4br,10ar)-1-ethyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid

Chemical Property:

Vapor Pressure:7.66E-10mmHg at 25°C
Boiling Point:462.6°C at 760 mmHg
Flash Point:247.7°C
Density:1.13g/cm³
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:290.18819469
Heavy Atom Count:21
Complexity:493

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1C2CCC3=CC(=O)CCC3C2CCC1(C)C(=O)O
Isomeric SMILES:CC[C@H]1[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]2CC[C@]1(C)C(=O)O

Technology Process of (1s,2s,4As,4br,10ar)-1-ethyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid

There total 3 articles about (1s,2s,4As,4br,10ar)-1-ethyl-2-methyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2-carboxylic acid 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:

: 3472-47-7
3-methoxy-16.17-seco-estratrien-(A)-oic acid-⁽¹⁷⁾

: 3727-71-7
d-1β-Aethyl-2β-methyl-7-oxo-1.2.3.4.4aα,4bβ,5,6,7,9,10,10aβ-decahydro-phenanthren-carbonsaeure-(2α)

Guidance literature:: Multistep reaction; (i) Li, liq. NH₃, EtOH, dioxane, (ii) aq. HCl, acetone, (iii) aq. CrO₃, H₂SO₄;
DOI:10.1002/hlca.19600430318

Reference yield:

: 482-49-5
(+)-trans-doisynolic acid

: 3727-71-7
d-1β-Aethyl-2β-methyl-7-oxo-1.2.3.4.4aα,4bβ,5,6,7,9,10,10aβ-decahydro-phenanthren-carbonsaeure-(2α)

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH / ethanol

2: (i) Li, liq. NH₃, EtOH, dioxane, (ii) aq. HCl, acetone, (iii) aq. CrO₃, H₂SO₄

With sodium hydroxide; In ethanol;
DOI:10.1002/hlca.19600430318