1'-Acetoxyestragole

Base Information

Chemical Name:1'-Acetoxyestragole
CAS No.:61691-82-5
Molecular Formula:C12H14 O3
Molecular Weight:206.241
Hs Code.:2915390090
DSSTox Substance ID:DTXSID80977261
Nikkaji Number:J66.017E
Wikidata:Q82962390
Mol file:61691-82-5.mol

Synonyms:1'-acetoxyestragole

Suppliers and Price of 1'-Acetoxyestragole

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

American Custom Chemicals Corporation
1'-ACETOXYESTRAGOLE 95.00%
5MG
$ 500.81

Total 5 raw suppliers

Chemical Property of 1'-Acetoxyestragole

Chemical Property:

Vapor Pressure:0.00215mmHg at 25°C
Refractive Index:1.5080 (estimate)
Boiling Point:289.8°C at 760 mmHg
Flash Point:117.1°C
PSA：35.53000
Density:1.057g/cm³
LogP:2.48540
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Heavy Atom Count:15
Complexity:217

Purity/Quality:

99% ^*data from raw suppliers

1'-ACETOXYESTRAGOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC(C=C)C1=CC=C(C=C1)OC

Technology Process of 1'-Acetoxyestragole

There total 12 articles about 1'-Acetoxyestragole 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: 98.0%

: 51410-44-7
1-(4-methoxylphenyl)-2-propen-1-ol

: 75-36-5
acetyl chloride

: 61691-82-5
1'-acetoxyestragole

Guidance literature:: With triethylamine; In dichloromethane; Inert atmosphere; Cooling with ice;
DOI:10.1002/chem.201805208

Reference yield: 80.0%

: 51410-44-7
1-(4-methoxylphenyl)-2-propen-1-ol

: 108-24-7
acetic anhydride

: 61691-82-5
1'-acetoxyestragole

Guidance literature:: With pyridine;
DOI:10.2174/157017811799304151

Reference yield: 75.0%

: 1826-67-1
vinyl magnesium bromide

: 123-11-5
4-methoxy-benzaldehyde

: 75-36-5
acetyl chloride

: 61691-82-5
1'-acetoxyestragole

Guidance literature:: vinyl magnesium bromide; 4-methoxy-benzaldehyde; In diethyl ether; for 3h; cooling;

acetyl chloride; In diethyl ether; for 20h;
DOI:10.1139/V06-140