(3S)-Butylphthalide

Base Information Edit

Chemical Name:(3S)-Butylphthalide
CAS No.:3413-15-8
Molecular Formula:C12H14O2
Molecular Weight:190.242
Hs Code.:
UNII:1XH7JED512
DSSTox Substance ID:DTXSID80455776
Nikkaji Number:J432.762D
Wikidata:Q82277910
Metabolomics Workbench ID:129453
ChEMBL ID:CHEMBL250205
Mol file:3413-15-8.mol

Synonyms:(3S)-BUTYLPHTHALIDE;3413-15-8;L-Butylphthalide;Butylphthalide, (S)-;1XH7JED512;1(3H)-Isobenzofuranone, 3-butyl-, (S)-;(3S)-3-BUTYL-3H-2-BENZOFURAN-1-ONE;(S)-3-butylisobenzofuran-1(3H)-one;1(3H)-Isobenzofuranone, 3-butyl-, (3S)-;Sendanenolide A;(s)-3-butylphthalide;UNII-1XH7JED512;CHEMBL250205;SCHEMBL3756573;DTXSID80455776;BDBM50180660;AKOS037515217;LS-191880;(3S)-3-butyl-1,3-dihydro-2-benzofuran-1-one

Suppliers and Price of (3S)-Butylphthalide

Supply Marketing:Edit

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 (3S)-Butylphthalide Edit

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:190.099379685
Heavy Atom Count:14
Complexity:212

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1C2=CC=CC=C2C(=O)O1
Isomeric SMILES:CCCC[C@H]1C2=CC=CC=C2C(=O)O1

Technology Process of (3S)-Butylphthalide

There total 77 articles about (3S)-Butylphthalide 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: 99.0%

: 72917-31-8
(Z)-3-(1-butylidene)phthalide

: 3413-15-8,6066-49-5,93133-67-6,125412-70-6
butylphthalide

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃;

Reference yield: 97.0%

: 551-08-6
3-butylidenephthalide

: 3413-15-8,6066-49-5,93133-67-6,125412-70-6
butylphthalide

Guidance literature:: With 5%-palladium/activated carbon; hydrogen; In ethanol; at 20 ℃; under 3750.38 Torr; Autoclave;
DOI:10.1016/j.cclet.2018.11.025

Reference yield: 93.2%

: 550-37-8
2-pentanoylbenzoic acid

: 3413-15-8,6066-49-5,93133-67-6,125412-70-6
butylphthalide

Guidance literature:: 2-pentanoylbenzoic acid; With sodium hydroxide; In water; at 25 ℃; for 0.5h; Large scale;

With sodium tetrahydroborate; In water; at 0 - 25 ℃; Large scale;

With hydrogenchloride; In tert-butyl methyl ether; water; at 0 - 25 ℃; pH=2.5; Large scale;