Agn-PC-01A9DT

Base Information

Chemical Name:Agn-PC-01A9DT
CAS No.:1173666-35-7
Molecular Formula:C16H22O5
Molecular Weight:294.34288
Hs Code.:
DSSTox Substance ID:DTXSID20455179
Nikkaji Number:J612.232I
Mol file:1173666-35-7.mol

Synonyms:AGN-PC-01A9DT;DTXSID20455179;1173666-35-7;6-Oxo-8a-methyl-3,4,6,7,8,8a-hexahydrospiro[naphthalene-1(2H),2'-[1,3]dioxolane]-5-carboxylic acid ethyl ester

Suppliers and Price of Agn-PC-01A9DT

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 Agn-PC-01A9DT

Chemical Property:

PSA：61.83000
LogP:2.14230
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:294.14672380
Heavy Atom Count:21
Complexity:501

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C2CCCC3(C2(CCC1=O)C)OCCO3

Technology Process of Agn-PC-01A9DT

There total 7 articles about Agn-PC-01A9DT 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: 88.0%

: 3733-18-4,1173675-23-4
4a-methyl-2,5-dioxo-2,3,4,4a,5,6,7,8-octahydro-[1]naphthoic acid ethyl ester

: 107-21-1
ethylene glycol

: 82273-33-4,1173666-35-7
C₁₆H₂₂O₅

Guidance literature:: With toluene-4-sulfonic acid; In benzene; Heating;
DOI:10.1021/jo00121a030

Reference yield:

: 22418-80-0
3-oxopent-4-enoic acid ethyl ester

: 82273-33-4,1173666-35-7
C₁₆H₂₂O₅

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / KF / methanol / 16 h / 25 °C

2: 74 percent / p-TsOH / benzene / 4 h / Heating

With potassium fluoride; toluene-4-sulfonic acid; In methanol; benzene;
DOI:10.1021/jo0159035

Reference yield:

: 38996-01-9
ethyl 3-hydroxypent-4-enoate

: 82273-33-4,1173666-35-7
C₁₆H₂₂O₅

Guidance literature:: Multi-step reaction with 3 steps

1: 56 percent / Jones reagent / acetone / 6 h / 0 - 25 °C

2: 74 percent / KF / methanol / 16 h / 25 °C

3: 74 percent / p-TsOH / benzene / 4 h / Heating

With potassium fluoride; jones reagent; toluene-4-sulfonic acid; In methanol; acetone; benzene; 1: Jones oxidation;
DOI:10.1021/jo0159035