Dccem

Base Information

Chemical Name:Dccem
CAS No.:123376-04-5
Molecular Formula:C₂₄H₃₄O₂S₂
Molecular Weight:418.665
Hs Code.:
DSSTox Substance ID:DTXSID60924490
Wikidata:Q82898672
Mol file:123376-04-5.mol

Synonyms:3,20-dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal);DCCEM

Suppliers and Price of Dccem

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

Total 2 raw suppliers

Chemical Property of Dccem

Chemical Property:

Boiling Point:572.3°Cat760mmHg
Flash Point:235°C
PSA：84.74000
Density:1.2g/cm³
LogP:5.89980
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:418.20002267
Heavy Atom Count:28
Complexity:709

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)CC5SCCS5
Isomeric SMILES:CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)CC5SCCS5

Technology Process of Dccem

There total 2 articles about Dccem 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: 59.0%

: 131943-69-6
(3β)-hydroxy-20-oxopregn-5-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethanediyl mercaptal)

: 123376-04-5
3,20-dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethanediyl mercaptal)

Guidance literature:: With 1-methylpiperidin-2-one; aluminum isopropoxide; In toluene; for 3h; Heating;
DOI:10.1016/0039-128X(90)90044-C

Reference yield:

: 115910-66-2
3β-tertiobutyldimethylsilyloxy-18-carboxaldehyde-20,20-ethylenedioxy-pregn-5-ene

: 123376-04-5
3,20-dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethanediyl mercaptal)

Guidance literature:: Multi-step reaction with 2 steps

1: 61 percent / BF₃*Et₂O / CH₂Cl₂ / 3 h / -10 °C

2: 59 percent / N-methylpiperidone, aluminium isopropoxide / toluene / 3 h / Heating

With 1-methylpiperidin-2-one; boron trifluoride diethyl etherate; aluminum isopropoxide; In dichloromethane; toluene;
DOI:10.1016/0039-128X(90)90044-C