3-Propylidenephthalide

Base Information

Chemical Name:3-Propylidenephthalide
CAS No.:94704-89-9
Molecular Formula:C11H10O2
Molecular Weight:174.199
Hs Code.:
European Community (EC) Number:241-402-8
UNII:LU204L9C7Y
DSSTox Substance ID:DTXSID801018094
Nikkaji Number:J36.997G,J3.083.141A
Wikidata:Q27283180
ChEMBL ID:CHEMBL401203

Synonyms:3-propylidenephthalide

Suppliers and Price of 3-Propylidenephthalide

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 3-Propylidenephthalide

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:174.068079557
Heavy Atom Count:13
Complexity:243

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC=C1C2=CC=CC=C2C(=O)O1
Isomeric SMILES:CC/C=C\1/C2=CC=CC=C2C(=O)O1

Technology Process of 3-Propylidenephthalide

There total 4 articles about 3-Propylidenephthalide 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:

: 85-44-9
phthalic anhydride

: 643021-30-1
1-phenyl-5-(propane-1-sulfonyl)-1H-1,2,3,4-tetrazole

: 56014-72-3
(E)-3-propylideneisobenzofuran-1(3H)-one

: 94704-89-9
(Z)-3-propylideneisobenzofuran-1(3H)-one

Guidance literature:: phthalic anhydride; 1-phenyl-5-(propane-1-sulfonyl)-1H-1,2,3,4-tetrazole; With boron trifluoride diethyl etherate; lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.75h; Inert atmosphere;

With acetic acid; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

With silica gel; In tetrahydrofuran; Overall yield = 85 %; Overall yield = 100 mg; stereoselective reaction; Inert atmosphere;
DOI:10.1021/acs.orglett.6b02160

Reference yield:

: 85-44-9
phthalic anhydride

: 2-(propylsulfonyl)pyridine

: 56014-72-3
(E)-3-propylideneisobenzofuran-1(3H)-one

: 94704-89-9
(Z)-3-propylideneisobenzofuran-1(3H)-one

Guidance literature:: phthalic anhydride; 2-(propylsulfonyl)pyridine; With boron trifluoride diethyl etherate; lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.75h; Inert atmosphere;

With acetic acid; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

In tetrahydrofuran; toluene; at 140 ℃; for 2h; Overall yield = 40 %; stereoselective reaction; Sealed tube; Microwave irradiation;
DOI:10.1021/acs.orglett.6b02160

Reference yield:

: 17271-36-2
2-[(propyl)sulfonyl]-1,3-benzothiazole

: 85-44-9
phthalic anhydride

: 56014-72-3
(E)-3-propylideneisobenzofuran-1(3H)-one

: 94704-89-9
(Z)-3-propylideneisobenzofuran-1(3H)-one

Guidance literature:: 2-[(propyl)sulfonyl]-1,3-benzothiazole; phthalic anhydride; With boron trifluoride diethyl etherate; lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.75h; Inert atmosphere;

With acetic acid; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

With silica gel; In tetrahydrofuran; Overall yield = 70 %; stereoselective reaction; Inert atmosphere;
DOI:10.1021/acs.orglett.6b02160